[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C26H30N4O3S — CID 50848762

IUPAC[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCCC1
InChIInChI=1S/C26H30N4O3S/c31-26(28-11-1-2-12-28)24-18-27-30-15-10-22(17-25(24)30)20-8-13-29(14-9-20)34(32,33)23-7-6-19-4-3-5-21(19)16-23/h6-7,10,15-18,20H,1-5,8-9,11-14H2
InChIKeyIGVZSXVFOAWQPK-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.63
Rot. Bonds4

About [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 50848762) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID50848762
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCCC1
InChIInChI=1S/C26H30N4O3S/c31-26(28-11-1-2-12-28)24-18-27-30-15-10-22(17-25(24)30)20-8-13-29(14-9-20)34(32,33)23-7-6-19-4-3-5-21(19)16-23/h6-7,10,15-18,20H,1-5,8-9,11-14H2
InChIKeyIGVZSXVFOAWQPK-UHFFFAOYSA-N
XLogP3.63
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848671
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849054
N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
CID 139392265
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50849086
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 53041288
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50849025

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 50848762) is [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCCC1.
What is the InChIKey of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IGVZSXVFOAWQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c31-26(28-11-1-2-12-28)24-18-27-30-15-10-22(17-25(24)30)20-8-13-29(14-9-20)34(32,33)23-7-6-19-4-3-5-21(19)16-23/h6-7,10,15-18,20H,1-5,8-9,11-14H2.
What are the key properties of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 478.62 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50848762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).