[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone

C24H23N5O3S — CID 24748868

IUPAC[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(-c3cccnc3)nccc12
InChIInChI=1S/C24H23N5O3S/c1-17-16-28(24(30)18-6-3-2-4-7-18)12-13-29(17)33(31,32)21-15-27-23-20(21)9-11-26-22(23)19-8-5-10-25-14-19/h2-11,14-15,17,27H,12-13,16H2,1H3
InChIKeySRBILTJOWAUJHB-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.16
Rot. Bonds4

About [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone

[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone (PubChem CID 24748868) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone
PubChem CID24748868
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(-c3cccnc3)nccc12
InChIInChI=1S/C24H23N5O3S/c1-17-16-28(24(30)18-6-3-2-4-7-18)12-13-29(17)33(31,32)21-15-27-23-20(21)9-11-26-22(23)19-8-5-10-25-14-19/h2-11,14-15,17,27H,12-13,16H2,1H3
InChIKeySRBILTJOWAUJHB-UHFFFAOYSA-N
XLogP3.16
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone (CID 24748868) is [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1c[nH]c2c(-c3cccnc3)nccc12.
What is the InChIKey of [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is SRBILTJOWAUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-17-16-28(24(30)18-6-3-2-4-7-18)12-13-29(17)33(31,32)21-15-27-23-20(21)9-11-26-22(23)19-8-5-10-25-14-19/h2-11,14-15,17,27H,12-13,16H2,1H3.
What are the key properties of [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone?
[3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 461.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(7-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 24748868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).