(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H27N7 — CID 95559140

IUPAC(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C21H27N7/c1-27-10-8-22-18(27)13-28-9-7-17-19(26-14-25-17)20(28)16-11-23-21(24-12-16)15-5-3-2-4-6-15/h8,10-12,14-15,20H,2-7,9,13H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyVSWDCBVJTZHPQO-HXUWFJFHSA-N
MW377.50 g/mol
LogP3.13
Rot. Bonds4

About (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95559140) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95559140
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C21H27N7/c1-27-10-8-22-18(27)13-28-9-7-17-19(26-14-25-17)20(28)16-11-23-21(24-12-16)15-5-3-2-4-6-15/h8,10-12,14-15,20H,2-7,9,13H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyVSWDCBVJTZHPQO-HXUWFJFHSA-N
XLogP3.13
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95219731
(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196713
4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56874476
4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
CID 95197850
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77092489
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70782242
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70774122
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95205451
(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545324
4-(4-chlorophenyl)-5-(1H-pyrazol-5-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 167912628

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95559140) is (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1cnc(C2CCCCC2)nc1.
What is the InChIKey of (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VSWDCBVJTZHPQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N7/c1-27-10-8-22-18(27)13-28-9-7-17-19(26-14-25-17)20(28)16-11-23-21(24-12-16)15-5-3-2-4-6-15/h8,10-12,14-15,20H,2-7,9,13H2,1H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 377.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95559140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).