6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C24H27F2N7O2 — CID 118206911

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C24H27F2N7O2/c1-15(2)32-19-10-20(33-21-17(13-31-33)9-16(11-27)12-30-21)29-14-18(19)22(34)28-8-7-23(35)3-5-24(25,26)6-4-23/h9-10,12-15,35H,3-8H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyKXYJRBVMSMHIMD-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.57
Rot. Bonds7

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206911) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206911
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C24H27F2N7O2/c1-15(2)32-19-10-20(33-21-17(13-31-33)9-16(11-27)12-30-21)29-14-18(19)22(34)28-8-7-23(35)3-5-24(25,26)6-4-23/h9-10,12-15,35H,3-8H2,1-2H3,(H,28,34)(H,29,32)
InChIKeyKXYJRBVMSMHIMD-UHFFFAOYSA-N
XLogP3.57
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206911) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NCCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is KXYJRBVMSMHIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-15(2)32-19-10-20(33-21-17(13-31-33)9-16(11-27)12-30-21)29-14-18(19)22(34)28-8-7-23(35)3-5-24(25,26)6-4-23/h9-10,12-15,35H,3-8H2,1-2H3,(H,28,34)(H,29,32).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4,4-difluoro-1-hydroxycyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).