bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine

C103H118F20N30O12 — CID 161193599

IUPACbis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESCOCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CC4OCC3C4F)n2)C1.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CC4CC3C4)n2)cc1OC(F)F.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIInChI=1S/2C22H28F4N6O3.C20H22F4N6O2.C20H21F3N6O2.C19H19F5N6O2/c2*1-34-13-22(26)3-6-32(12-22)20-29-15(14-8-16(35-19(23)24)18(27)28-10-14)9-17(30-20)31-5-2-21(25,11-31)4-7-33;1-20(24)2-3-29(9-20)19-27-11(10-4-13(32-18(22)23)17(25)26-6-10)5-15(28-19)30-7-14-16(21)12(30)8-31-14;21-17-13-8-30-15(17)7-29(13)16-4-12(10-3-14(31-19(22)23)18(24)25-5-10)26-20(27-16)28-6-9-1-11(28)2-9;20-15-11-7-31-13(15)6-30(11)14-4-10(9-3-12(32-17(21)22)16(25)26-5-9)27-18(28-14)29-2-1-19(23,24)8-29/h2*8-10,19,33H,2-7,11-13H2,1H3,(H2,27,28);4-6,12,14,16,18H,2-3,7-9H2,1H3,(H2,25,26);3-5,9,11,13,15,17,19H,1-2,6-8H2,(H2,24,25);3-5,11,13,15,17H,1-2,6-8H2,(H2,25,26)/t;;12?,14?,16?,20-;;/m..0../s1
InChIKeyUUAYPTZBCZQAMB-SQPGIWFMSA-N
MW2348.23 g/mol
LogP12.50
Rot. Bonds33

About bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine

bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine (PubChem CID 161193599) has the molecular formula C103H118F20N30O12 and a molecular weight of 2348.23 g/mol. Its IUPAC name is bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Namebis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
PubChem CID161193599
Molecular FormulaC103H118F20N30O12
Molecular Weight2348.23 g/mol
Exact Mass2346.92
IUPAC Namebis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine
SMILESCOCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CC4OCC3C4F)n2)C1.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CC4CC3C4)n2)cc1OC(F)F.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F
InChIInChI=1S/2C22H28F4N6O3.C20H22F4N6O2.C20H21F3N6O2.C19H19F5N6O2/c2*1-34-13-22(26)3-6-32(12-22)20-29-15(14-8-16(35-19(23)24)18(27)28-10-14)9-17(30-20)31-5-2-21(25,11-31)4-7-33;1-20(24)2-3-29(9-20)19-27-11(10-4-13(32-18(22)23)17(25)26-6-10)5-15(28-19)30-7-14-16(21)12(30)8-31-14;21-17-13-8-30-15(17)7-29(13)16-4-12(10-3-14(31-19(22)23)18(24)25-5-10)26-20(27-16)28-6-9-1-11(28)2-9;20-15-11-7-31-13(15)6-30(11)14-4-10(9-3-12(32-17(21)22)16(25)26-5-9)27-18(28-14)29-2-1-19(23,24)8-29/h2*8-10,19,33H,2-7,11-13H2,1H3,(H2,27,28);4-6,12,14,16,18H,2-3,7-9H2,1H3,(H2,25,26);3-5,9,11,13,15,17,19H,1-2,6-8H2,(H2,24,25);3-5,11,13,15,17H,1-2,6-8H2,(H2,25,26)/t;;12?,14?,16?,20-;;/m..0../s1
InChIKeyUUAYPTZBCZQAMB-SQPGIWFMSA-N
XLogP12.50
TPSA488.61 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.23
LogP ≤ 512.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine with MolForge

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Related Compounds

Gdc-0134
CID 86298636
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117678371
3-(difluoromethoxy)-5-[2-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117678422
3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688571
3-(difluoromethoxy)-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688605
3-(difluoromethoxy)-5-[2-(3,3-difluoro-2-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688750
5-[2-[(1R,5S)-2-azabicyclo[3.1.0]hexan-2-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 118876401
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 118876433
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-propan-2-yloxypyridin-2-amine
CID 86303388
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 86303543
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 86304620
3-(difluoromethoxy)-5-[2-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 86304787

Frequently Asked Questions

What is the IUPAC name of bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine (CID 161193599) is bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine is COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.COCC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CCC(F)(CCO)C3)n2)C1.C[C@]1(F)CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3CC4OCC3C4F)n2)C1.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CC4CC3C4)n2)cc1OC(F)F.Nc1ncc(-c2cc(N3CC4OCC3C4F)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F.
What is the InChIKey of bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is UUAYPTZBCZQAMB-SQPGIWFMSA-N. The full InChI is InChI=1S/2C22H28F4N6O3.C20H22F4N6O2.C20H21F3N6O2.C19H19F5N6O2/c2*1-34-13-22(26)3-6-32(12-22)20-29-15(14-8-16(35-19(23)24)18(27)28-10-14)9-17(30-20)31-5-2-21(25,11-31)4-7-33;1-20(24)2-3-29(9-20)19-27-11(10-4-13(32-18(22)23)17(25)26-6-10)5-15(28-19)30-7-14-16(21)12(30)8-31-14;21-17-13-8-30-15(17)7-29(13)16-4-12(10-3-14(31-19(22)23)18(24)25-5-10)26-20(27-16)28-6-9-1-11(28)2-9;20-15-11-7-31-13(15)6-30(11)14-4-10(9-3-12(32-17(21)22)16(25)26-5-9)27-18(28-14)29-2-1-19(23,24)8-29/h2*8-10,19,33H,2-7,11-13H2,1H3,(H2,27,28);4-6,12,14,16,18H,2-3,7-9H2,1H3,(H2,25,26);3-5,9,11,13,15,17,19H,1-2,6-8H2,(H2,24,25);3-5,11,13,15,17H,1-2,6-8H2,(H2,25,26)/t;;12?,14?,16?,20-;;/m..0../s1.
What are the key properties of bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine?
bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 2348.23 g/mol, XLogP of 12.50, 33 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[1-[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-fluoropyrrolidin-3-yl]ethanol);5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-(7-fluoro-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 161193599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).