N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C21H29F3N6O3 — CID 155836342

IUPACN-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)NC3CCCC3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O.C2HF3O2/c1-13-8-15(24(3)22-13)9-25-10-16(18-17(11-25)20-12-23(18)2)19(26)21-14-6-4-5-7-14;3-2(4,5)1(6)7/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,21,26);(H,6,7)
InChIKeySLGSUQWQOQBERT-UHFFFAOYSA-N
MW470.50 g/mol
LogP2.25
Rot. Bonds4

About N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836342) has the molecular formula C21H29F3N6O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836342
Molecular FormulaC21H29F3N6O3
Molecular Weight470.50 g/mol
Exact Mass470.23
IUPAC NameN-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3ncn(C)c3C(C(=O)NC3CCCC3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O.C2HF3O2/c1-13-8-15(24(3)22-13)9-25-10-16(18-17(11-25)20-12-23(18)2)19(26)21-14-6-4-5-7-14;3-2(4,5)1(6)7/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,21,26);(H,6,7)
InChIKeySLGSUQWQOQBERT-UHFFFAOYSA-N
XLogP2.25
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155836342) is N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3ncn(C)c3C(C(=O)NC3CCCC3)C2)n(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SLGSUQWQOQBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.C2HF3O2/c1-13-8-15(24(3)22-13)9-25-10-16(18-17(11-25)20-12-23(18)2)19(26)21-14-6-4-5-7-14;3-2(4,5)1(6)7/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,21,26);(H,6,7).
What are the key properties of N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).