(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone

C18H17ClN4O3S — CID 68799935

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2ccc(S(C)(=O)=O)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H17ClN4O3S/c1-21-17-6-5-15(27(2,25)26)9-12(17)7-8-23(21)18(24)16-10-14-4-3-13(19)11-22(14)20-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyBOZWNBHVKIIVLO-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.44
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone (PubChem CID 68799935) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone
PubChem CID68799935
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2ccc(S(C)(=O)=O)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H17ClN4O3S/c1-21-17-6-5-15(27(2,25)26)9-12(17)7-8-23(21)18(24)16-10-14-4-3-13(19)11-22(14)20-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyBOZWNBHVKIIVLO-UHFFFAOYSA-N
XLogP2.44
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone (CID 68799935) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone is CN1c2ccc(S(C)(=O)=O)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone?
The InChIKey is BOZWNBHVKIIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-21-17-6-5-15(27(2,25)26)9-12(17)7-8-23(21)18(24)16-10-14-4-3-13(19)11-22(14)20-16/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone has a molecular weight of 404.88 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-methylsulfonyl-3,4-dihydrocinnolin-2-yl)methanone is sourced from PubChem (CID 68799935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).