5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C24H35F3N6 — CID 123338892

IUPAC5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CC(N2CCNC(C)C2)CC1C
InChIInChI=1S/C24H35F3N6/c1-5-16(4)33-22(19-10-18(8-14(19)2)32-7-6-29-15(3)13-32)11-21(31-33)17-9-20(24(25,26)27)23(28)30-12-17/h9,11-12,14-16,18-19,29H,5-8,10,13H2,1-4H3,(H2,28,30)
InChIKeyOGMQEBNVONRZPB-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.69
Rot. Bonds5

About 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123338892) has the molecular formula C24H35F3N6 and a molecular weight of 464.58 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID123338892
Molecular FormulaC24H35F3N6
Molecular Weight464.58 g/mol
Exact Mass464.29
IUPAC Name5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CC(N2CCNC(C)C2)CC1C
InChIInChI=1S/C24H35F3N6/c1-5-16(4)33-22(19-10-18(8-14(19)2)32-7-6-29-15(3)13-32)11-21(31-33)17-9-20(24(25,26)27)23(28)30-12-17/h9,11-12,14-16,18-19,29H,5-8,10,13H2,1-4H3,(H2,28,30)
InChIKeyOGMQEBNVONRZPB-UHFFFAOYSA-N
XLogP4.69
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 123338892) is 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CC(N2CCNC(C)C2)CC1C.
What is the InChIKey of 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OGMQEBNVONRZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N6/c1-5-16(4)33-22(19-10-18(8-14(19)2)32-7-6-29-15(3)13-32)11-21(31-33)17-9-20(24(25,26)27)23(28)30-12-17/h9,11-12,14-16,18-19,29H,5-8,10,13H2,1-4H3,(H2,28,30).
What are the key properties of 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 464.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123338892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).