1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

C22H25N5O2 — CID 44822938

IUPAC1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C22H25N5O2/c1-13-4-6-15(7-5-13)18-12-17(19-14(2)25-26(3)21(19)24-18)22(29)27-10-8-16(9-11-27)20(23)28/h4-7,12,16H,8-11H2,1-3H3,(H2,23,28)
InChIKeyUAQWNVYSGSRRCA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.59
Rot. Bonds3

About 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 44822938) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
PubChem CID44822938
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C22H25N5O2/c1-13-4-6-15(7-5-13)18-12-17(19-14(2)25-26(3)21(19)24-18)22(29)27-10-8-16(9-11-27)20(23)28/h4-7,12,16H,8-11H2,1-3H3,(H2,23,28)
InChIKeyUAQWNVYSGSRRCA-UHFFFAOYSA-N
XLogP2.59
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854350
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821447
1-[1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 27461481
[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854053
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 34484289
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
ethyl 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 30755393
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55501194

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (CID 44822938) is 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)c3c(C)nn(C)c3n2)cc1.
What is the InChIKey of 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is UAQWNVYSGSRRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-4-6-15(7-5-13)18-12-17(19-14(2)25-26(3)21(19)24-18)22(29)27-10-8-16(9-11-27)20(23)28/h4-7,12,16H,8-11H2,1-3H3,(H2,23,28).
What are the key properties of 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 44822938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).