(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C24H21F3N10O — CID 139344524

IUPAC(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c1
InChIInChI=1S/C24H21F3N10O/c1-34-12-17(30-14-34)23(38)36-7-6-35(13-19(36)15-8-31-32-9-15)21-4-5-28-22(33-21)18-10-29-20-3-2-16(11-37(18)20)24(25,26)27/h2-5,8-12,14,19H,6-7,13H2,1H3,(H,31,32)
InChIKeyNAMNCNQBMQFIQU-UHFFFAOYSA-N
MW522.50 g/mol
LogP2.97
Rot. Bonds4

About (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344524) has the molecular formula C24H21F3N10O and a molecular weight of 522.50 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID139344524
Molecular FormulaC24H21F3N10O
Molecular Weight522.50 g/mol
Exact Mass522.19
IUPAC Name(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c1
InChIInChI=1S/C24H21F3N10O/c1-34-12-17(30-14-34)23(38)36-7-6-35(13-19(36)15-8-31-32-9-15)21-4-5-28-22(33-21)18-10-29-20-3-2-16(11-37(18)20)24(25,26)27/h2-5,8-12,14,19H,6-7,13H2,1H3,(H,31,32)
InChIKeyNAMNCNQBMQFIQU-UHFFFAOYSA-N
XLogP2.97
TPSA113.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344524) is (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cn1cnc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is NAMNCNQBMQFIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N10O/c1-34-12-17(30-14-34)23(38)36-7-6-35(13-19(36)15-8-31-32-9-15)21-4-5-28-22(33-21)18-10-29-20-3-2-16(11-37(18)20)24(25,26)27/h2-5,8-12,14,19H,6-7,13H2,1H3,(H,31,32).
What are the key properties of (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
(1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 522.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).