About 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163732364) has the molecular formula C142H171Cl3F2N28O14S
and a molecular weight of 2670.53 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163732364) is 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(C)cc3N3CCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(C(=O)c4cc(Cl)ccc4C)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4ccc(Cl)c(-c5nccs5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(NCc4ccc(Oc5ccc(Cl)cc5)cc4)C[C@H]3C2)n1.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is LARMSGWJBDGHLW-CAUDNTHZSA-N. The full InChI is InChI=1S/C26H27ClN4O3.C24H26ClN5O2S.C24H33N5O2.2C23H30FN5O2.C22H25ClN4O3/c1-17(32)25-10-11-31(29-25)26(33)30-15-19-12-22(13-20(19)16-30)28-14-18-2-6-23(7-3-18)34-24-8-4-21(27)5-9-24;1-17(31)21-4-9-30(27-21)23(32)29-11-6-24(7-12-29)5-10-28(16-24)15-18-2-3-20(25)19(14-18)22-26-8-13-33-22;1-18-6-7-20(22(16-18)27-11-5-12-27)17-26(4)24(3)9-14-28(15-10-24)23(31)29-13-8-21(25-29)19(2)30;2*1-16-4-5-19(22(12-16)27-8-6-20(24)15-27)14-26-10-11-28(17(2)13-26)23(31)29-9-7-21(25-29)18(3)30;1-15-3-4-17(23)13-18(15)20(29)26-12-8-22(14-26)6-10-25(11-7-22)21(30)27-9-5-19(24-27)16(2)28/h2-11,19-20,22,28H,12-16H2,1H3;2-4,8-9,13-14H,5-7,10-12,15-16H2,1H3;6-8,13,16H,5,9-12,14-15,17H2,1-4H3;2*4-5,7,9,12,17,20H,6,8,10-11,13-15H2,1-3H3;3-5,9,13H,6-8,10-12,14H2,1-2H3/t19-,20+,22?;;;17-,20+;17-,20-;/m...10./s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2670.53 g/mol, XLogP of 23.25, 25 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[[4-(4-chlorophenoxy)phenyl]methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(azetidin-1-yl)-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-(5-chloro-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163732364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).