1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile

C24H22F3N9O — CID 139365225

About 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile

1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 139365225) has the molecular formula C24H22F3N9O and a molecular weight of 509.50 g/mol. Its IUPAC name is 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile
• PubChem CID: 139365225
• Molecular Formula: C24H22F3N9O
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.19
• IUPAC Name: 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile
• SMILES: N#CC1(C(=O)N2CC([C@@H]3CN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)CCN3)C=N2)CC1
• InChI: InChI=1S/C24H22F3N9O/c25-24(26,27)16-1-2-19-31-10-18(35(19)12-16)21-30-6-3-20(33-21)34-8-7-29-17(13-34)15-9-32-36(11-15)22(37)23(14-28)4-5-23/h1-3,6,9-10,12,15,17,29H,4-5,7-8,11,13H2/t15?,17-/m0/s1
• InChIKey: HUIHVSLIYFNXNA-LWKPJOBUSA-N
• XLogP: 2.34
• TPSA: 114.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile?

The IUPAC name of 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile (CID 139365225) is 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CC([C@@H]3CN(c4ccnc(-c5cnc6ccc(C(F)(F)F)cn56)n4)CCN3)C=N2)CC1.

What is the InChIKey of 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile?

The InChIKey is HUIHVSLIYFNXNA-LWKPJOBUSA-N. The full InChI is InChI=1S/C24H22F3N9O/c25-24(26,27)16-1-2-19-31-10-18(35(19)12-16)21-30-6-3-20(33-21)34-8-7-29-17(13-34)15-9-32-36(11-15)22(37)23(14-28)4-5-23/h1-3,6,9-10,12,15,17,29H,4-5,7-8,11,13H2/t15?,17-/m0/s1.

What are the key properties of 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile?

1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 509.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 139365225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).