N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C18H20N4O3 — CID 111471664

IUPACN-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2ccccc2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H20N4O3/c1-11-10-13(15-16(20-11)22(2)21-18(15)25)17(24)19-9-8-14(23)12-6-4-3-5-7-12/h3-7,10,14,23H,8-9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyJKALNKZKWWKDAP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.42
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111471664) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111471664
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2ccccc2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C18H20N4O3/c1-11-10-13(15-16(20-11)22(2)21-18(15)25)17(24)19-9-8-14(23)12-6-4-3-5-7-12/h3-7,10,14,23H,8-9H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyJKALNKZKWWKDAP-UHFFFAOYSA-N
XLogP1.42
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166228325
N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166190193
1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166249258
N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 111471069
1,6-dimethyl-4-(3-methyl-2,3-dihydroindole-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one
CID 166190299
1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39929190
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39006868
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
2-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837256
1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51097783
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 111471664) is N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCC(O)c2ccccc2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JKALNKZKWWKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-10-13(15-16(20-11)22(2)21-18(15)25)17(24)19-9-8-14(23)12-6-4-3-5-7-12/h3-7,10,14,23H,8-9H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111471664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).