N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H24N4O — CID 43054671

IUPACN,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H24N4O/c1-13(2)24-19-18(12-21-24)17(11-14(3)22-19)20(25)23(5)15(4)16-9-7-6-8-10-16/h6-13,15H,1-5H3
InChIKeyBEXCXBOTLHXMQK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds4

About N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 43054671) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID43054671
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H24N4O/c1-13(2)24-19-18(12-21-24)17(11-14(3)22-19)20(25)23(5)15(4)16-9-7-6-8-10-16/h6-13,15H,1-5H3
InChIKeyBEXCXBOTLHXMQK-UHFFFAOYSA-N
XLogP4.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406873
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60597428
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
N-cyclopropyl-6-methyl-1-propan-2-yl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51960144
N,6-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86833507
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
(1-oxo-1-phenylpropan-2-yl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 42928941
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45490949
N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
N,6-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 43036683

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 43054671) is N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccccc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BEXCXBOTLHXMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(2)24-19-18(12-21-24)17(11-14(3)22-19)20(25)23(5)15(4)16-9-7-6-8-10-16/h6-13,15H,1-5H3.
What are the key properties of N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(1-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43054671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).