N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C27H30N8O2 — CID 171059017

IUPACN-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3c3ccc(N4C[C@H]5C[C@@H]5C4)nc3)ncn2)n1
InChIInChI=1S/C27H30N8O2/c1-15-4-5-28-26(32-15)20-8-21(20)27(37)33-23-9-25(31-14-30-23)35-13-19(36)7-22(35)16-2-3-24(29-10-16)34-11-17-6-18(17)12-34/h2-5,9-10,14,17-22,36H,6-8,11-13H2,1H3,(H,30,31,33,37)/t17-,18-,19+,20?,21?,22+/m1/s1
InChIKeyVTISCTIXYZNZHL-LLFYEVKUSA-N
MW498.59 g/mol
LogP2.48
Rot. Bonds6

About N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171059017) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID171059017
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC NameN-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3c3ccc(N4C[C@H]5C[C@@H]5C4)nc3)ncn2)n1
InChIInChI=1S/C27H30N8O2/c1-15-4-5-28-26(32-15)20-8-21(20)27(37)33-23-9-25(31-14-30-23)35-13-19(36)7-22(35)16-2-3-24(29-10-16)34-11-17-6-18(17)12-34/h2-5,9-10,14,17-22,36H,6-8,11-13H2,1H3,(H,30,31,33,37)/t17-,18-,19+,20?,21?,22+/m1/s1
InChIKeyVTISCTIXYZNZHL-LLFYEVKUSA-N
XLogP2.48
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
(2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175616298
trans-(1S,2S)-N-(5-chloropyridazin-3-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132826
N-[6-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methylamino]-2-methylpyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758768
trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131540
trans-(1R,2R)-N-[6-[(2R,4S)-2-(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)-4-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 175615499
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132322
trans-(1S,2S)-2-(4-methylpyrimidin-2-yl)-N-(3-sulfanylphenyl)cyclopropane-1-carboxamide
CID 165133273
N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758664
trans-(1S,2S)-N-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133476
1-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]ethanone
CID 165134383
trans-(1S,2S)-N-(3-amino-4-fluorophenyl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131554

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171059017) is N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3c3ccc(N4C[C@H]5C[C@@H]5C4)nc3)ncn2)n1.
What is the InChIKey of N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is VTISCTIXYZNZHL-LLFYEVKUSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-15-4-5-28-26(32-15)20-8-21(20)27(37)33-23-9-25(31-14-30-23)35-13-19(36)7-22(35)16-2-3-24(29-10-16)34-11-17-6-18(17)12-34/h2-5,9-10,14,17-22,36H,6-8,11-13H2,1H3,(H,30,31,33,37)/t17-,18-,19+,20?,21?,22+/m1/s1.
What are the key properties of N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,4S)-2-[6-[(1S,5S)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).