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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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
5-{5-[1-(Oxetan-3-Yl)piperidin-4-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 78318990
5-{5-[(1r,5s,6r)-3-(Oxetan-3-Yl)-3-Azabicyclo[3.1.0]hexan-6-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 90292702
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
Arylpyrazole, 21
CID 44143421
Arylpyrazole, 23
CID 44143423
Arylpyrazole, 24
CID 44143424

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).