N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide

C22H21ClF3N5O — CID 86724380

IUPACN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide
SMILESCc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CC=C2
InChIInChI=1S/C22H21ClF3N5O/c1-12(2)19-16(11-27-31(19)15-9-7-14(23)8-10-15)29-21(32)18-6-4-5-17-20(22(24,25)26)28-13(3)30(17)18/h4-5,7-12,18H,6H2,1-3H3,(H,29,32)
InChIKeyDLZYRDNKZUIBEA-UHFFFAOYSA-N
MW463.89 g/mol
LogP5.77
Rot. Bonds4

About N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide

N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 86724380) has the molecular formula C22H21ClF3N5O and a molecular weight of 463.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID86724380
Molecular FormulaC22H21ClF3N5O
Molecular Weight463.89 g/mol
Exact Mass463.14
IUPAC NameN-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide
SMILESCc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CC=C2
InChIInChI=1S/C22H21ClF3N5O/c1-12(2)19-16(11-27-31(19)15-9-7-14(23)8-10-15)29-21(32)18-6-4-5-17-20(22(24,25)26)28-13(3)30(17)18/h4-5,7-12,18H,6H2,1-3H3,(H,29,32)
InChIKeyDLZYRDNKZUIBEA-UHFFFAOYSA-N
XLogP5.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.89
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide (CID 86724380) is N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide is Cc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CC=C2.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is DLZYRDNKZUIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O/c1-12(2)19-16(11-27-31(19)15-9-7-14(23)8-10-15)29-21(32)18-6-4-5-17-20(22(24,25)26)28-13(3)30(17)18/h4-5,7-12,18H,6H2,1-3H3,(H,29,32).
What are the key properties of N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide?
N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 463.89 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 86724380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).