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

C27H31N7O2 — CID 118206508

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C27H31N7O2/c1-16(2)31-23-12-24(34-10-9-19-11-17(13-28)14-30-25(19)34)29-15-22(23)27(36)33-20-5-3-18(4-6-20)26(35)32-21-7-8-21/h9-12,14-16,18,20-21H,3-8H2,1-2H3,(H,29,31)(H,32,35)(H,33,36)
InChIKeyQPYNPSIRCQLZNI-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.68
Rot. Bonds7

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206508) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206508
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C27H31N7O2/c1-16(2)31-23-12-24(34-10-9-19-11-17(13-28)14-30-25(19)34)29-15-22(23)27(36)33-20-5-3-18(4-6-20)26(35)32-21-7-8-21/h9-12,14-16,18,20-21H,3-8H2,1-2H3,(H,29,31)(H,32,35)(H,33,36)
InChIKeyQPYNPSIRCQLZNI-UHFFFAOYSA-N
XLogP3.68
TPSA124.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206508) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)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-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is QPYNPSIRCQLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-16(2)31-23-12-24(34-10-9-19-11-17(13-28)14-30-25(19)34)29-15-22(23)27(36)33-20-5-3-18(4-6-20)26(35)32-21-7-8-21/h9-12,14-16,18,20-21H,3-8H2,1-2H3,(H,29,31)(H,32,35)(H,33,36).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.68, 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-(cyclopropylcarbamoyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).