(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H25N7 — CID 95195388

IUPAC(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCc1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cnn(C)c2)[nH]1
InChIInChI=1S/C18H25N7/c1-3-4-5-16-19-9-14(23-16)11-25-7-6-15-17(21-12-20-15)18(25)13-8-22-24(2)10-13/h8-10,12,18H,3-7,11H2,1-2H3,(H,19,23)(H,20,21)/t18-/m0/s1
InChIKeyHJXWPDQNPIHJTL-SFHVURJKSA-N
MW339.45 g/mol
LogP2.36
Rot. Bonds6

About (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95195388) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95195388
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCc1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cnn(C)c2)[nH]1
InChIInChI=1S/C18H25N7/c1-3-4-5-16-19-9-14(23-16)11-25-7-6-15-17(21-12-20-15)18(25)13-8-22-24(2)10-13/h8-10,12,18H,3-7,11H2,1-2H3,(H,19,23)(H,20,21)/t18-/m0/s1
InChIKeyHJXWPDQNPIHJTL-SFHVURJKSA-N
XLogP2.36
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine 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 (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95195388) is (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCCc1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cnn(C)c2)[nH]1.
What is the InChIKey of (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HJXWPDQNPIHJTL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N7/c1-3-4-5-16-19-9-14(23-16)11-25-7-6-15-17(21-12-20-15)18(25)13-8-22-24(2)10-13/h8-10,12,18H,3-7,11H2,1-2H3,(H,19,23)(H,20,21)/t18-/m0/s1.
What are the key properties of (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 339.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95195388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).