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

C19H23F3N6O4 — CID 155830728

IUPACN-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2Cc3ncn(C)c3C(C(=O)NCC3CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N6O2.C2HF3O2/c1-22-10-21-13-8-23(14-5-15(25-2)20-9-19-14)7-12(16(13)22)17(24)18-6-11-3-4-11;3-2(4,5)1(6)7/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,24);(H,6,7)
InChIKeyAEYKCLZTSBOTGR-UHFFFAOYSA-N
MW456.43 g/mol
LogP1.48
Rot. Bonds5

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

N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155830728) has the molecular formula C19H23F3N6O4 and a molecular weight of 456.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155830728
Molecular FormulaC19H23F3N6O4
Molecular Weight456.43 g/mol
Exact Mass456.17
IUPAC NameN-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2Cc3ncn(C)c3C(C(=O)NCC3CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N6O2.C2HF3O2/c1-22-10-21-13-8-23(14-5-15(25-2)20-9-19-14)7-12(16(13)22)17(24)18-6-11-3-4-11;3-2(4,5)1(6)7/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,24);(H,6,7)
InChIKeyAEYKCLZTSBOTGR-UHFFFAOYSA-N
XLogP1.48
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155830728) is N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-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-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(N2Cc3ncn(C)c3C(C(=O)NCC3CC3)C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AEYKCLZTSBOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.C2HF3O2/c1-22-10-21-13-8-23(14-5-15(25-2)20-9-19-14)7-12(16(13)22)17(24)18-6-11-3-4-11;3-2(4,5)1(6)7/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,24);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 456.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).