7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C24H22N6O — CID 24828567

IUPAC7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCC1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H22N6O/c1-2-6-21-22-20(9-5-14-25-22)24(31)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-26-28-29-27-23/h3-5,7-14,21H,2,6,15H2,1H3,(H,26,27,28,29)
InChIKeyPBVMNRPKLPSZNJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.43
Rot. Bonds6

About 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 24828567) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID24828567
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCC1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H22N6O/c1-2-6-21-22-20(9-5-14-25-22)24(31)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-26-28-29-27-23/h3-5,7-14,21H,2,6,15H2,1H3,(H,26,27,28,29)
InChIKeyPBVMNRPKLPSZNJ-UHFFFAOYSA-N
XLogP4.43
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 24828567) is 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCCC1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PBVMNRPKLPSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-6-21-22-20(9-5-14-25-22)24(31)30(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)23-26-28-29-27-23/h3-5,7-14,21H,2,6,15H2,1H3,(H,26,27,28,29).
What are the key properties of 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 410.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 24828567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).