4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine

C27H25N5S — CID 177004963

IUPAC4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCc1ncsc1-c1ccc(CNc2cc3c(ncn3C)c(-c3ccccc3C3CC3)n2)cc1
InChIInChI=1S/C27H25N5S/c1-17-27(33-16-30-17)20-9-7-18(8-10-20)14-28-24-13-23-26(29-15-32(23)2)25(31-24)22-6-4-3-5-21(22)19-11-12-19/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyCSGOMCZKRGPRAF-UHFFFAOYSA-N
MW451.60 g/mol
LogP6.56
Rot. Bonds6

About 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine

4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 177004963) has the molecular formula C27H25N5S and a molecular weight of 451.60 g/mol. Its IUPAC name is 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine
PubChem CID177004963
Molecular FormulaC27H25N5S
Molecular Weight451.60 g/mol
Exact Mass451.18
IUPAC Name4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine
SMILESCc1ncsc1-c1ccc(CNc2cc3c(ncn3C)c(-c3ccccc3C3CC3)n2)cc1
InChIInChI=1S/C27H25N5S/c1-17-27(33-16-30-17)20-9-7-18(8-10-20)14-28-24-13-23-26(29-15-32(23)2)25(31-24)22-6-4-3-5-21(22)19-11-12-19/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,28,31)
InChIKeyCSGOMCZKRGPRAF-UHFFFAOYSA-N
XLogP6.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-tert-butylphenyl)-1-methyl-N-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]imidazo[4,5-c]pyridin-6-amine
CID 177004968
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
N-benzyl-1-methyl-6-piperidin-4-ylimidazo[4,5-c]pyridin-4-amine;hydrochloride
CID 134069650
(2S,4R)-1-tert-butyl-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 141398988
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 146108753
1-(3-methyl-2-pyridin-2-ylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 139571998
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
6-(2-cyclobutylphenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 114607065
N-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 75435629
[(2S)-1-[(2R,3R,4S)-3-fluoro-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]azanium chloride
CID 135357661
(2S,4R)-4-hydroxy-1-(3-hydroxy-2-methylbenzoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 72734458

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine (CID 177004963) is 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine is Cc1ncsc1-c1ccc(CNc2cc3c(ncn3C)c(-c3ccccc3C3CC3)n2)cc1.
What is the InChIKey of 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is CSGOMCZKRGPRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5S/c1-17-27(33-16-30-17)20-9-7-18(8-10-20)14-28-24-13-23-26(29-15-32(23)2)25(31-24)22-6-4-3-5-21(22)19-11-12-19/h3-10,13,15-16,19H,11-12,14H2,1-2H3,(H,28,31).
What are the key properties of 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine?
4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 451.60 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylphenyl)-1-methyl-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 177004963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).