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

C21H25N7O — CID 118206380

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C21H25N7O/c1-13(2)5-6-23-21(29)17-12-24-19(8-18(17)27-14(3)4)28-20-16(11-26-28)7-15(9-22)10-25-20/h7-8,10-14H,5-6H2,1-4H3,(H,23,29)(H,24,27)
InChIKeyIOZZKWZMFYYMOE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.28
Rot. Bonds7

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206380) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206380
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C21H25N7O/c1-13(2)5-6-23-21(29)17-12-24-19(8-18(17)27-14(3)4)28-20-16(11-26-28)7-15(9-22)10-25-20/h7-8,10-14H,5-6H2,1-4H3,(H,23,29)(H,24,27)
InChIKeyIOZZKWZMFYYMOE-UHFFFAOYSA-N
XLogP3.28
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206380) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is IOZZKWZMFYYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13(2)5-6-23-21(29)17-12-24-19(8-18(17)27-14(3)4)28-20-16(11-26-28)7-15(9-22)10-25-20/h7-8,10-14H,5-6H2,1-4H3,(H,23,29)(H,24,27).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).