1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one

C29H41F3N6O3S — CID 25003064

IUPAC1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCN(C)Cc1cc(-c2nn(CCCN3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F
InChIInChI=1S/C29H41F3N6O3S/c1-34(2)19-22-18-21(7-8-25(22)29(30,31)32)28-24-20-36(42(3,40)41)17-11-26(24)38(33-28)14-5-12-35-15-9-23(10-16-35)37-13-4-6-27(37)39/h7-8,18,23H,4-6,9-17,19-20H2,1-3H3
InChIKeyYWXAPMRDHRNFKV-UHFFFAOYSA-N
MW610.75 g/mol
LogP3.43
Rot. Bonds9

About 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 25003064) has the molecular formula C29H41F3N6O3S and a molecular weight of 610.75 g/mol. Its IUPAC name is 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID25003064
Molecular FormulaC29H41F3N6O3S
Molecular Weight610.75 g/mol
Exact Mass610.29
IUPAC Name1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCN(C)Cc1cc(-c2nn(CCCN3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F
InChIInChI=1S/C29H41F3N6O3S/c1-34(2)19-22-18-21(7-8-25(22)29(30,31)32)28-24-20-36(42(3,40)41)17-11-26(24)38(33-28)14-5-12-35-15-9-23(10-16-35)37-13-4-6-27(37)39/h7-8,18,23H,4-6,9-17,19-20H2,1-3H3
InChIKeyYWXAPMRDHRNFKV-UHFFFAOYSA-N
XLogP3.43
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one (CID 25003064) is 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one is CN(C)Cc1cc(-c2nn(CCCN3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F.
What is the InChIKey of 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is YWXAPMRDHRNFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41F3N6O3S/c1-34(2)19-22-18-21(7-8-25(22)29(30,31)32)28-24-20-36(42(3,40)41)17-11-26(24)38(33-28)14-5-12-35-15-9-23(10-16-35)37-13-4-6-27(37)39/h7-8,18,23H,4-6,9-17,19-20H2,1-3H3.
What are the key properties of 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 610.75 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-[3-[(dimethylamino)methyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 25003064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).