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

C26H30N4O4S — CID 50848671

IUPAC[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCOCC1
InChIInChI=1S/C26H30N4O4S/c31-26(28-12-14-34-15-13-28)24-18-27-30-11-8-22(17-25(24)30)20-6-9-29(10-7-20)35(32,33)23-5-4-19-2-1-3-21(19)16-23/h4-5,8,11,16-18,20H,1-3,6-7,9-10,12-15H2
InChIKeyFNJMPGJBTOJRAS-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.86
Rot. Bonds4

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

[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 50848671) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 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]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID50848671
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCOCC1
InChIInChI=1S/C26H30N4O4S/c31-26(28-12-14-34-15-13-28)24-18-27-30-11-8-22(17-25(24)30)20-6-9-29(10-7-20)35(32,33)23-5-4-19-2-1-3-21(19)16-23/h4-5,8,11,16-18,20H,1-3,6-7,9-10,12-15H2
InChIKeyFNJMPGJBTOJRAS-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-pyrrolidin-1-ylmethanone
CID 50848762
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50849025
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848636
[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-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848848
(4-chlorophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848975
(2-bromophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849007

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]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 50848671) is [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-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]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)cc12)N1CCOCC1.
What is the InChIKey of [5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FNJMPGJBTOJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c31-26(28-12-14-34-15-13-28)24-18-27-30-11-8-22(17-25(24)30)20-6-9-29(10-7-20)35(32,33)23-5-4-19-2-1-3-21(19)16-23/h4-5,8,11,16-18,20H,1-3,6-7,9-10,12-15H2.
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]-morpholin-4-ylmethanone?
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 494.62 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 50848671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).