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

C20H25F3N4O3S — CID 155828114

IUPACN-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccsc1CN1Cc2ncn(C)c2C(C(=O)NCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-12-5-6-24-16(12)10-22-8-14(18(23)19-7-13-3-4-13)17-15(9-22)20-11-21(17)2;3-2(4,5)1(6)7/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyKAUUFRHHAIJQOS-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.05
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155828114) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155828114
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC NameN-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccsc1CN1Cc2ncn(C)c2C(C(=O)NCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4OS.C2HF3O2/c1-12-5-6-24-16(12)10-22-8-14(18(23)19-7-13-3-4-13)17-15(9-22)20-11-21(17)2;3-2(4,5)1(6)7/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyKAUUFRHHAIJQOS-UHFFFAOYSA-N
XLogP3.05
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155828114) is N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)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)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccsc1CN1Cc2ncn(C)c2C(C(=O)NCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KAUUFRHHAIJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.C2HF3O2/c1-12-5-6-24-16(12)10-22-8-14(18(23)19-7-13-3-4-13)17-15(9-22)20-11-21(17)2;3-2(4,5)1(6)7/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,19,23);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).