6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H18N4O — CID 27741134

IUPAC6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H18N4O/c1-4-10-20-19(24)15-11-17(14-8-6-5-7-9-14)22-18-16(15)12-21-23(18)13(2)3/h1,5-9,11-13H,10H2,2-3H3,(H,20,24)
InChIKeyBYNAYKHGAFVUNS-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.04
Rot. Bonds4

About 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide

6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 27741134) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID27741134
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H18N4O/c1-4-10-20-19(24)15-11-17(14-8-6-5-7-9-14)22-18-16(15)12-21-23(18)13(2)3/h1,5-9,11-13H,10H2,2-3H3,(H,20,24)
InChIKeyBYNAYKHGAFVUNS-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119497417
N-(3-aminobutyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119497416
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119348382
N-(1-amino-2-methylpropan-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119523371
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41214495
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 27741134) is 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide is C#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BYNAYKHGAFVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-4-10-20-19(24)15-11-17(14-8-6-5-7-9-14)22-18-16(15)12-21-23(18)13(2)3/h1,5-9,11-13H,10H2,2-3H3,(H,20,24).
What are the key properties of 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 27741134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).