(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C19H21N5O — CID 97325838

IUPAC(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCn2cncc2C1
InChIInChI=1S/C19H21N5O/c25-19(17-5-7-24-14-21-11-18(24)9-17)22-10-15-1-3-16(4-2-15)12-23-8-6-20-13-23/h1-4,6,8,11,13-14,17H,5,7,9-10,12H2,(H,22,25)/t17-/m0/s1
InChIKeyHISJCYDDUWXCAE-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.01
Rot. Bonds5

About (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97325838) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97325838
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCn2cncc2C1
InChIInChI=1S/C19H21N5O/c25-19(17-5-7-24-14-21-11-18(24)9-17)22-10-15-1-3-16(4-2-15)12-23-8-6-20-13-23/h1-4,6,8,11,13-14,17H,5,7,9-10,12H2,(H,22,25)/t17-/m0/s1
InChIKeyHISJCYDDUWXCAE-KRWDZBQOSA-N
XLogP2.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
N-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112522406
N-[2-(4-chlorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112529041
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034995
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
(7R)-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97325931
(3R)-1-(4-fluorophenyl)sulfonyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 35859361
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97325838) is (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCn2cncc2C1.
What is the InChIKey of (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is HISJCYDDUWXCAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(17-5-7-24-14-21-11-18(24)9-17)22-10-15-1-3-16(4-2-15)12-23-8-6-20-13-23/h1-4,6,8,11,13-14,17H,5,7,9-10,12H2,(H,22,25)/t17-/m0/s1.
What are the key properties of (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).