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

C26H32N6O2 — CID 118206267

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C26H32N6O2/c1-16(2)30-22-12-23(32-10-9-18-11-17(13-27)14-29-24(18)32)28-15-21(22)25(33)31-20-7-5-19(6-8-20)26(3,4)34/h9-12,14-16,19-20,34H,5-8H2,1-4H3,(H,28,30)(H,31,33)
InChIKeyXDKFQVXZEGPDPB-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.17
Rot. Bonds6

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206267) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206267
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C26H32N6O2/c1-16(2)30-22-12-23(32-10-9-18-11-17(13-27)14-29-24(18)32)28-15-21(22)25(33)31-20-7-5-19(6-8-20)26(3,4)34/h9-12,14-16,19-20,34H,5-8H2,1-4H3,(H,28,30)(H,31,33)
InChIKeyXDKFQVXZEGPDPB-UHFFFAOYSA-N
XLogP4.17
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.17
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-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206267) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-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-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is XDKFQVXZEGPDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-16(2)30-22-12-23(32-10-9-18-11-17(13-27)14-29-24(18)32)28-15-21(22)25(33)31-20-7-5-19(6-8-20)26(3,4)34/h9-12,14-16,19-20,34H,5-8H2,1-4H3,(H,28,30)(H,31,33).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.17, 6 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-(2-hydroxypropan-2-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).