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

C27H30N8O2 — CID 118210803

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C27H30N8O2/c1-17(2)32-22-13-24(35-11-7-19-12-18(14-28)15-30-25(19)35)29-16-21(22)26(36)33-20-4-8-27(37,9-5-20)23-6-10-31-34(23)3/h6-7,10-13,15-17,20,37H,4-5,8-9H2,1-3H3,(H,29,32)(H,33,36)
InChIKeyAIATYLWXJROHGE-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.41
Rot. Bonds6

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118210803) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118210803
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C27H30N8O2/c1-17(2)32-22-13-24(35-11-7-19-12-18(14-28)15-30-25(19)35)29-16-21(22)26(36)33-20-4-8-27(37,9-5-20)23-6-10-31-34(23)3/h6-7,10-13,15-17,20,37H,4-5,8-9H2,1-3H3,(H,29,32)(H,33,36)
InChIKeyAIATYLWXJROHGE-UHFFFAOYSA-N
XLogP3.41
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118210803) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)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-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is AIATYLWXJROHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-17(2)32-22-13-24(35-11-7-19-12-18(14-28)15-30-25(19)35)29-16-21(22)26(36)33-20-4-8-27(37,9-5-20)23-6-10-31-34(23)3/h6-7,10-13,15-17,20,37H,4-5,8-9H2,1-3H3,(H,29,32)(H,33,36).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118210803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).