(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H27N7 — CID 95219731

IUPAC(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cc([C@H]2c3nc[nH]c3CCN2Cc2cn[nH]c2C2CCCCC2)cn1
InChIInChI=1S/C20H27N7/c1-26-11-16(10-24-26)20-19-17(21-13-22-19)7-8-27(20)12-15-9-23-25-18(15)14-5-3-2-4-6-14/h9-11,13-14,20H,2-8,12H2,1H3,(H,21,22)(H,23,25)/t20-/m0/s1
InChIKeyRUKSGYRXXDLJJM-FQEVSTJZSA-N
MW365.49 g/mol
LogP3.06
Rot. Bonds4

About (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95219731) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95219731
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cc([C@H]2c3nc[nH]c3CCN2Cc2cn[nH]c2C2CCCCC2)cn1
InChIInChI=1S/C20H27N7/c1-26-11-16(10-24-26)20-19-17(21-13-22-19)7-8-27(20)12-15-9-23-25-18(15)14-5-3-2-4-6-14/h9-11,13-14,20H,2-8,12H2,1H3,(H,21,22)(H,23,25)/t20-/m0/s1
InChIKeyRUKSGYRXXDLJJM-FQEVSTJZSA-N
XLogP3.06
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

(4S)-4-(1-methylpyrazol-4-yl)-5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95223955
(4R)-4-(2-cyclohexylpyrimidin-5-yl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95559140
(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95201436
(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70721371
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
CID 136563431
4-(4-chlorophenyl)-5-(1H-pyrazol-5-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 167912628
3-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56884989
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 99928379
1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (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) is (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1cc([C@H]2c3nc[nH]c3CCN2Cc2cn[nH]c2C2CCCCC2)cn1.
What is the InChIKey of (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RUKSGYRXXDLJJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N7/c1-26-11-16(10-24-26)20-19-17(21-13-22-19)7-8-27(20)12-15-9-23-25-18(15)14-5-3-2-4-6-14/h9-11,13-14,20H,2-8,12H2,1H3,(H,21,22)(H,23,25)/t20-/m0/s1.
What are the key properties of (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 365.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).