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

C26H22F3N9O2 — CID 139344510

IUPAC(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)ccn1
InChIInChI=1S/C26H22F3N9O2/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29/h2-7,10-14,20H,8-9,15H2,1H3,(H,33,34)
InChIKeyVMMVMPSVOFNMDY-UHFFFAOYSA-N
MW549.52 g/mol
LogP3.64
Rot. Bonds5

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

(2-methoxy-4-pyridinyl)-[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 139344510) has the molecular formula C26H22F3N9O2 and a molecular weight of 549.52 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[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(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID139344510
Molecular FormulaC26H22F3N9O2
Molecular Weight549.52 g/mol
Exact Mass549.18
IUPAC Name(2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)ccn1
InChIInChI=1S/C26H22F3N9O2/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29/h2-7,10-14,20H,8-9,15H2,1H3,(H,33,34)
InChIKeyVMMVMPSVOFNMDY-UHFFFAOYSA-N
XLogP3.64
TPSA117.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344510) is (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-[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 VMMVMPSVOFNMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N9O2/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29/h2-7,10-14,20H,8-9,15H2,1H3,(H,33,34).
What are the key properties of (2-methoxy-4-pyridinyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
(2-methoxy-4-pyridinyl)-[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 549.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-[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 139344510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).