1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

C24H20F3N9O — CID 139365238

About 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile

1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 139365238) has the molecular formula C24H20F3N9O and a molecular weight of 507.48 g/mol. Its IUPAC name is 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
• PubChem CID: 139365238
• Molecular Formula: C24H20F3N9O
• Molecular Weight: 507.48 g/mol
• Exact Mass: 507.17
• IUPAC Name: 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
• SMILES: N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2c2cn[nH]c2)CC1
• InChI: InChI=1S/C24H20F3N9O/c25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15/h1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32)/t19-/m1/s1
• InChIKey: DDWCEQAZBHRLSL-LJQANCHMSA-N
• XLogP: 3.23
• TPSA: 119.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.48
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The IUPAC name of 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (CID 139365238) is 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C[C@@H]2c2cn[nH]c2)CC1.

What is the InChIKey of 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

The InChIKey is DDWCEQAZBHRLSL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H20F3N9O/c25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15/h1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32)/t19-/m1/s1.

What are the key properties of 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile?

1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 507.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 139365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).