(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone — IUPAC name, SMILES, InChIKey & properties

Name: (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone

(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 161318693) has the molecular formula C78H88Cl5F3N14O3 and a molecular weight of 1503.92 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name	(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID	161318693
Molecular Formula	C78H88Cl5F3N14O3
Molecular Weight	1503.92 g/mol
Exact Mass	1500.56
IUPAC Name	(1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILES	CC(c1ccc(Cl)cc1C(F)(F)F)n1ncc2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4(N)CCCC4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4CCCN4)[C@H](C)C3)cc21
InChI	InChI=1S/C27H28ClF3N4O.C26H31Cl2N5O.C25H29Cl2N5O/c1-17(22-8-7-21(28)15-23(22)27(29,30)31)35-25-14-19(5-6-20(25)16-33-35)18-9-12-34(13-10-18)26(36)24-4-2-3-11-32-24;1-17-16-31(11-12-32(17)25(34)26(29)9-3-4-10-26)21-7-5-19-15-30-33(24(19)14-21)18(2)22-8-6-20(27)13-23(22)28;1-16-15-30(10-11-31(16)25(33)23-4-3-9-28-23)20-7-5-18-14-29-32(24(18)13-20)17(2)21-8-6-19(26)12-22(21)27/h5-9,14-17,24,32H,2-4,10-13H2,1H3;5-8,13-15,17-18H,3-4,9-12,16,29H2,1-2H3;5-8,12-14,16-17,23,28H,3-4,9-11,15H2,1-2H3/t;17-,18?;16-,17?,23?/m.11/s1
InChIKey	VJVQIKAIBIDBIP-LFJSKPTCSA-N
XLogP	16.08
TPSA	170.95 Å²
H-Bond Donors	3
H-Bond Acceptors	14
Rotatable Bonds	12
Heavy Atoms	103
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.92
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Analyze (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The IUPAC name of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 161318693) is (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.

What is the SMILES notation for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The canonical SMILES for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is CC(c1ccc(Cl)cc1C(F)(F)F)n1ncc2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4(N)CCCC4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)C4CCCN4)[C@H](C)C3)cc21.

What is the InChIKey of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The InChIKey is VJVQIKAIBIDBIP-LFJSKPTCSA-N. The full InChI is InChI=1S/C27H28ClF3N4O.C26H31Cl2N5O.C25H29Cl2N5O/c1-17(22-8-7-21(28)15-23(22)27(29,30)31)35-25-14-19(5-6-20(25)16-33-35)18-9-12-34(13-10-18)26(36)24-4-2-3-11-32-24;1-17-16-31(11-12-32(17)25(34)26(29)9-3-4-10-26)21-7-5-19-15-30-33(24(19)14-21)18(2)22-8-6-20(27)13-23(22)28;1-16-15-30(10-11-31(16)25(33)23-4-3-9-28-23)20-7-5-18-14-29-32(24(18)13-20)17(2)21-8-6-19(26)12-22(21)27/h5-9,14-17,24,32H,2-4,10-13H2,1H3;5-8,13-15,17-18H,3-4,9-12,16,29H2,1-2H3;5-8,12-14,16-17,23,28H,3-4,9-11,15H2,1-2H3/t;17-,18?;16-,17?,23?/m.11/s1.

What are the key properties of (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

Where does this data come from?

All data for (1-aminocyclopentyl)-[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]methanone;[4-[1-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;[(2R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 161318693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).