(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C23H29N5O — CID 78835832

IUPAC(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCCN(C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C23H29N5O/c1-16(2)28-22-20(15-24-28)19(23(29)27-11-7-10-26(4)12-13-27)14-21(25-22)18-9-6-5-8-17(18)3/h5-6,8-9,14-16H,7,10-13H2,1-4H3
InChIKeyMFAIOOJVDCITJW-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.77
Rot. Bonds3

About (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 78835832) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID78835832
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCCN(C)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C23H29N5O/c1-16(2)28-22-20(15-24-28)19(23(29)27-11-7-10-26(4)12-13-27)14-21(25-22)18-9-6-5-8-17(18)3/h5-6,8-9,14-16H,7,10-13H2,1-4H3
InChIKeyMFAIOOJVDCITJW-UHFFFAOYSA-N
XLogP3.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46559622
(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 46570445
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
6-(2-methylphenyl)-1-propan-2-yl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55847840
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 24606529
[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46689804
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 78835832) is (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1ccccc1-c1cc(C(=O)N2CCCN(C)CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is MFAIOOJVDCITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16(2)28-22-20(15-24-28)19(23(29)27-11-7-10-26(4)12-13-27)14-21(25-22)18-9-6-5-8-17(18)3/h5-6,8-9,14-16H,7,10-13H2,1-4H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 78835832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).