6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C22H22N6O3S — CID 118863363

IUPAC6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(=O)(=O)N3CCCC3)cnc2Nc2ccccn2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H22N6O3S/c1-27-14-18(16-7-9-24-20(16)22(27)29)17-12-15(32(30,31)28-10-4-5-11-28)13-25-21(17)26-19-6-2-3-8-23-19/h2-3,6-9,12-14,24H,4-5,10-11H2,1H3,(H,23,25,26)
InChIKeyYSVSWTWGUSOWAE-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.85
Rot. Bonds5

About 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 118863363) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID118863363
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(S(=O)(=O)N3CCCC3)cnc2Nc2ccccn2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H22N6O3S/c1-27-14-18(16-7-9-24-20(16)22(27)29)17-12-15(32(30,31)28-10-4-5-11-28)13-25-21(17)26-19-6-2-3-8-23-19/h2-3,6-9,12-14,24H,4-5,10-11H2,1H3,(H,23,25,26)
InChIKeyYSVSWTWGUSOWAE-UHFFFAOYSA-N
XLogP2.85
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 118863363) is 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(S(=O)(=O)N3CCCC3)cnc2Nc2ccccn2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is YSVSWTWGUSOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-27-14-18(16-7-9-24-20(16)22(27)29)17-12-15(32(30,31)28-10-4-5-11-28)13-25-21(17)26-19-6-2-3-8-23-19/h2-3,6-9,12-14,24H,4-5,10-11H2,1H3,(H,23,25,26).
What are the key properties of 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 450.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 118863363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).