N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide

C61H66F2N10O6S2 — CID 165064164

IUPACN-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CCC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1
InChIInChI=1S/C31H34FN5O3S.C30H32FN5O3S/c1-20-18-27(37-41(38,39)31(2)14-7-15-31)23-10-3-4-11-24(23)28(20)40-29-25(12-6-16-33-29)26-13-17-34-30(36-26)35-22-9-5-8-21(32)19-22;1-19-17-26(36-40(37,38)30(2)13-14-30)22-9-3-4-10-23(22)27(19)39-28-24(11-6-15-32-28)25-12-16-33-29(35-25)34-21-8-5-7-20(31)18-21/h3-4,6,10-13,16-18,21-22,37H,5,7-9,14-15,19H2,1-2H3,(H,34,35,36);3-4,6,9-12,15-17,20-21,36H,5,7-8,13-14,18H2,1-2H3,(H,33,34,35)
InChIKeyRRQSUQGNJRNIST-UHFFFAOYSA-N
MW1137.39 g/mol
LogP13.95
Rot. Bonds16

About N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide

N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide (PubChem CID 165064164) has the molecular formula C61H66F2N10O6S2 and a molecular weight of 1137.39 g/mol. Its IUPAC name is N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
PubChem CID165064164
Molecular FormulaC61H66F2N10O6S2
Molecular Weight1137.39 g/mol
Exact Mass1136.46
IUPAC NameN-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CCC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1
InChIInChI=1S/C31H34FN5O3S.C30H32FN5O3S/c1-20-18-27(37-41(38,39)31(2)14-7-15-31)23-10-3-4-11-24(23)28(20)40-29-25(12-6-16-33-29)26-13-17-34-30(36-26)35-22-9-5-8-21(32)19-22;1-19-17-26(36-40(37,38)30(2)13-14-30)22-9-3-4-10-23(22)27(19)39-28-24(11-6-15-32-28)25-12-16-33-29(35-25)34-21-8-5-7-20(31)18-21/h3-4,6,10-13,16-18,21-22,37H,5,7-9,14-15,19H2,1-2H3,(H,34,35,36);3-4,6,9-12,15-17,20-21,36H,5,7-8,13-14,18H2,1-2H3,(H,33,34,35)
InChIKeyRRQSUQGNJRNIST-UHFFFAOYSA-N
XLogP13.95
TPSA212.20 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.39
LogP ≤ 513.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide with MolForge

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Related Compounds

N-[4-[[3-[2-[(5-fluoropiperidin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide
CID 163302468
N-[(1R,3R)-3-fluorocyclohexyl]-4-[2-[2-methyl-4-[(1-methylcyclobutyl)sulfonylmethyl]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-amine
CID 164956477
tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride
CID 164984381
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327877
N-[5-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-6-methylnaphthalen-1-yl]propane-1-sulfonamide
CID 135327669
3,3,3-trifluoro-N-[3-methyl-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfinamide
CID 163302481
N-cyclohexyl-4-[2-[3-fluoro-2-methyl-4-(methylsulfonylmethyl)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-amine
CID 165072045
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 135327224
1,1,1-trifluoro-3-[[3-methyl-4-[[3-[2-[[(3S,5R)-5-methylpiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]amino]propan-2-ol
CID 135327608
1-cyclohexyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]methanesulfonamide
CID 177375729
(1R)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylethanesulfonamide
CID 135326845
(1R)-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylethanesulfonamide
CID 135326843

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide (CID 165064164) is N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide is Cc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CCC2)c2ccccc2c1Oc1ncccc1-c1ccnc(NC2CCCC(F)C2)n1.
What is the InChIKey of N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide?
The InChIKey is RRQSUQGNJRNIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O3S.C30H32FN5O3S/c1-20-18-27(37-41(38,39)31(2)14-7-15-31)23-10-3-4-11-24(23)28(20)40-29-25(12-6-16-33-29)26-13-17-34-30(36-26)35-22-9-5-8-21(32)19-22;1-19-17-26(36-40(37,38)30(2)13-14-30)22-9-3-4-10-23(22)27(19)39-28-24(11-6-15-32-28)25-12-16-33-29(35-25)34-21-8-5-7-20(31)18-21/h3-4,6,10-13,16-18,21-22,37H,5,7-9,14-15,19H2,1-2H3,(H,34,35,36);3-4,6,9-12,15-17,20-21,36H,5,7-8,13-14,18H2,1-2H3,(H,33,34,35).
What are the key properties of N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide?
N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide has a molecular weight of 1137.39 g/mol, XLogP of 13.95, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclobutane-1-sulfonamide;N-[4-[[3-[2-[(3-fluorocyclohexyl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 165064164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).