6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C28H34N6O2 — CID 118206409

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1
InChIInChI=1S/C28H34N6O2/c1-17(2)32-24-13-25(34-11-10-19-12-18(14-29)15-31-26(19)34)30-16-23(24)27(35)33-22-8-6-21(7-9-22)28(3,36)20-4-5-20/h10-13,15-17,20-22,36H,4-9H2,1-3H3,(H,30,32)(H,33,35)
InChIKeyVCQDIPHQOVIZME-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.56
Rot. Bonds7

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206409) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206409
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1
InChIInChI=1S/C28H34N6O2/c1-17(2)32-24-13-25(34-11-10-19-12-18(14-29)15-31-26(19)34)30-16-23(24)27(35)33-22-8-6-21(7-9-22)28(3,36)20-4-5-20/h10-13,15-17,20-22,36H,4-9H2,1-3H3,(H,30,32)(H,33,35)
InChIKeyVCQDIPHQOVIZME-UHFFFAOYSA-N
XLogP4.56
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206409) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is VCQDIPHQOVIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-17(2)32-24-13-25(34-11-10-19-12-18(14-29)15-31-26(19)34)30-16-23(24)27(35)33-22-8-6-21(7-9-22)28(3,36)20-4-5-20/h10-13,15-17,20-22,36H,4-9H2,1-3H3,(H,30,32)(H,33,35).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).