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

C20H23N7O — CID 118206741

IUPACN-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C20H23N7O/c1-4-5-6-22-20(28)16-12-23-18(8-17(16)26-13(2)3)27-19-15(11-25-27)7-14(9-21)10-24-19/h7-8,10-13H,4-6H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyQVXKELIRLNDKDF-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.04
Rot. Bonds7

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

N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206741) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206741
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C20H23N7O/c1-4-5-6-22-20(28)16-12-23-18(8-17(16)26-13(2)3)27-19-15(11-25-27)7-14(9-21)10-24-19/h7-8,10-13H,4-6H2,1-3H3,(H,22,28)(H,23,26)
InChIKeyQVXKELIRLNDKDF-UHFFFAOYSA-N
XLogP3.04
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206741) is N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CCCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C.
What is the InChIKey of N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is QVXKELIRLNDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-4-5-6-22-20(28)16-12-23-18(8-17(16)26-13(2)3)27-19-15(11-25-27)7-14(9-21)10-24-19/h7-8,10-13H,4-6H2,1-3H3,(H,22,28)(H,23,26).
What are the key properties of N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).