6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide

C26H27F2N5O2 — CID 90425704

IUPAC6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-n2cc(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc32)nc1
InChIInChI=1S/C26H27F2N5O2/c1-15-23(16(2)35-32-15)19-11-21-20(10-17-6-8-26(27,28)9-7-17)14-33(24(21)31-13-19)22-5-4-18(12-30-22)25(34)29-3/h4-5,11-14,17H,6-10H2,1-3H3,(H,29,34)
InChIKeyWRBJDDQXUKQHFI-UHFFFAOYSA-N
MW479.53 g/mol
LogP5.42
Rot. Bonds5

About 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide

6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 90425704) has the molecular formula C26H27F2N5O2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID90425704
Molecular FormulaC26H27F2N5O2
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-n2cc(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc32)nc1
InChIInChI=1S/C26H27F2N5O2/c1-15-23(16(2)35-32-15)19-11-21-20(10-17-6-8-26(27,28)9-7-17)14-33(24(21)31-13-19)22-5-4-18(12-30-22)25(34)29-3/h4-5,11-14,17H,6-10H2,1-3H3,(H,29,34)
InChIKeyWRBJDDQXUKQHFI-UHFFFAOYSA-N
XLogP5.42
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

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CID 139339317
CID 139339317
CID 135566739
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CID 71225530

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide (CID 90425704) is 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-n2cc(CC3CCC(F)(F)CC3)c3cc(-c4c(C)noc4C)cnc32)nc1.
What is the InChIKey of 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is WRBJDDQXUKQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O2/c1-15-23(16(2)35-32-15)19-11-21-20(10-17-6-8-26(27,28)9-7-17)14-33(24(21)31-13-19)22-5-4-18(12-30-22)25(34)29-3/h4-5,11-14,17H,6-10H2,1-3H3,(H,29,34).
What are the key properties of 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide?
6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90425704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).