3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C25H25F3N8 — CID 139344559

IUPAC3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CC6)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C25H25F3N8/c26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32)
InChIKeyVCHVAMBTWMWUML-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.20
Rot. Bonds5

About 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344559) has the molecular formula C25H25F3N8 and a molecular weight of 494.53 g/mol. Its IUPAC name is 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344559
Molecular FormulaC25H25F3N8
Molecular Weight494.53 g/mol
Exact Mass494.22
IUPAC Name3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CC6)C(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C25H25F3N8/c26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32)
InChIKeyVCHVAMBTWMWUML-UHFFFAOYSA-N
XLogP4.20
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344559) is 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC56CC6)C(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is VCHVAMBTWMWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8/c26-25(27,28)17-1-2-21-30-12-19(36(21)14-17)23-29-6-3-22(33-23)35-8-7-34(13-18-9-24(18)4-5-24)20(15-35)16-10-31-32-11-16/h1-3,6,10-12,14,18,20H,4-5,7-9,13,15H2,(H,31,32).
What are the key properties of 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 494.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).