(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H22N4O — CID 78836996

IUPAC(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnc3c(cnn3Cc3ccccc3)c1)CCC2
InChIInChI=1S/C24H22N4O/c1-17-7-5-10-19-11-6-12-27(22(17)19)24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-8-3-2-4-9-18/h2-5,7-10,13-15H,6,11-12,16H2,1H3
InChIKeyPXFKLXQYVQXAJP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.38
Rot. Bonds3

About (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 78836996) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID78836996
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnc3c(cnn3Cc3ccccc3)c1)CCC2
InChIInChI=1S/C24H22N4O/c1-17-7-5-10-19-11-6-12-27(22(17)19)24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-8-3-2-4-9-18/h2-5,7-10,13-15H,6,11-12,16H2,1H3
InChIKeyPXFKLXQYVQXAJP-UHFFFAOYSA-N
XLogP4.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 78836996) is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cnc3c(cnn3Cc3ccccc3)c1)CCC2.
What is the InChIKey of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PXFKLXQYVQXAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-7-5-10-19-11-6-12-27(22(17)19)24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-8-3-2-4-9-18/h2-5,7-10,13-15H,6,11-12,16H2,1H3.
What are the key properties of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 78836996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).