N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H26N4O3 — CID 97327864

IUPACN-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c12
InChIInChI=1S/C25H26N4O3/c1-16-23-20(14-21(17-9-5-3-6-10-17)27-24(23)29(2)28-16)25(32)26-19(15-30)13-22(31)18-11-7-4-8-12-18/h3-12,14,19,22,30-31H,13,15H2,1-2H3,(H,26,32)/t19-,22+/m0/s1
InChIKeyJLSIOSGXZXOBFW-SIKLNZKXSA-N
MW430.51 g/mol
LogP3.16
Rot. Bonds7

About N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 97327864) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID97327864
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c12
InChIInChI=1S/C25H26N4O3/c1-16-23-20(14-21(17-9-5-3-6-10-17)27-24(23)29(2)28-16)25(32)26-19(15-30)13-22(31)18-11-7-4-8-12-18/h3-12,14,19,22,30-31H,13,15H2,1-2H3,(H,26,32)/t19-,22+/m0/s1
InChIKeyJLSIOSGXZXOBFW-SIKLNZKXSA-N
XLogP3.16
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
N-[1-(2-methoxyphenyl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42930632
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500586
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520164
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 97327864) is N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c12.
What is the InChIKey of N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JLSIOSGXZXOBFW-SIKLNZKXSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-23-20(14-21(17-9-5-3-6-10-17)27-24(23)29(2)28-16)25(32)26-19(15-30)13-22(31)18-11-7-4-8-12-18/h3-12,14,19,22,30-31H,13,15H2,1-2H3,(H,26,32)/t19-,22+/m0/s1.
What are the key properties of N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 97327864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).