6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H18F3N5O — CID 155883964

IUPAC6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2ccc3nccn3c2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C21H18F3N5O/c1-12-16(14-7-8-15-25-9-10-28(15)11-14)20(30)29-19(26-12)17(13-5-3-2-4-6-13)18(27-29)21(22,23)24/h2-11,17-19,26-27H,1H3
InChIKeyLFNDGHBDKZYOOJ-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.06
Rot. Bonds2

About 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155883964) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155883964
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC Name6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2ccc3nccn3c2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C21H18F3N5O/c1-12-16(14-7-8-15-25-9-10-28(15)11-14)20(30)29-19(26-12)17(13-5-3-2-4-6-13)18(27-29)21(22,23)24/h2-11,17-19,26-27H,1H3
InChIKeyLFNDGHBDKZYOOJ-UHFFFAOYSA-N
XLogP3.06
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155883964) is 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1=C(c2ccc3nccn3c2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LFNDGHBDKZYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c1-12-16(14-7-8-15-25-9-10-28(15)11-14)20(30)29-19(26-12)17(13-5-3-2-4-6-13)18(27-29)21(22,23)24/h2-11,17-19,26-27H,1H3.
What are the key properties of 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 413.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[1,2-a]pyridin-6-yl-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155883964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).