(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H19N7 — CID 95545324

IUPAC(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cnn(-c2ccc([C@H]3c4nc[nH]c4CCN3Cc3ncc[nH]3)cc2)c1
InChIInChI=1S/C19H19N7/c1-7-24-26(10-1)15-4-2-14(3-5-15)19-18-16(22-13-23-18)6-11-25(19)12-17-20-8-9-21-17/h1-5,7-10,13,19H,6,11-12H2,(H,20,21)(H,22,23)/t19-/m0/s1
InChIKeyDZRVBNNNHCWAQC-IBGZPJMESA-N
MW345.41 g/mol
LogP2.47
Rot. Bonds4

About (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95545324) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95545324
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cnn(-c2ccc([C@H]3c4nc[nH]c4CCN3Cc3ncc[nH]3)cc2)c1
InChIInChI=1S/C19H19N7/c1-7-24-26(10-1)15-4-2-14(3-5-15)19-18-16(22-13-23-18)6-11-25(19)12-17-20-8-9-21-17/h1-5,7-10,13,19H,6,11-12H2,(H,20,21)(H,22,23)/t19-/m0/s1
InChIKeyDZRVBNNNHCWAQC-IBGZPJMESA-N
XLogP2.47
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95869943
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545462
4-(4-chlorophenyl)-5-(1H-pyrazol-5-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 167912628
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510
5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56719547
3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213135
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95545324) is (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cnn(-c2ccc([C@H]3c4nc[nH]c4CCN3Cc3ncc[nH]3)cc2)c1.
What is the InChIKey of (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DZRVBNNNHCWAQC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N7/c1-7-24-26(10-1)15-4-2-14(3-5-15)19-18-16(22-13-23-18)6-11-25(19)12-17-20-8-9-21-17/h1-5,7-10,13,19H,6,11-12H2,(H,20,21)(H,22,23)/t19-/m0/s1.
What are the key properties of (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 345.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95545324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).