N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide

C18H20N6O — CID 166262499

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1N(C(=O)Nc1ccc(Cn3ccnc3)cc1)CCC2
InChIInChI=1S/C18H20N6O/c1-13-17-16(22-21-13)3-2-9-24(17)18(25)20-15-6-4-14(5-7-15)11-23-10-8-19-12-23/h4-8,10,12H,2-3,9,11H2,1H3,(H,20,25)(H,21,22)
InChIKeySLMUGHQWMNKWCY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide

N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide (PubChem CID 166262499) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
PubChem CID166262499
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1N(C(=O)Nc1ccc(Cn3ccnc3)cc1)CCC2
InChIInChI=1S/C18H20N6O/c1-13-17-16(22-21-13)3-2-9-24(17)18(25)20-15-6-4-14(5-7-15)11-23-10-8-19-12-23/h4-8,10,12H,2-3,9,11H2,1H3,(H,20,25)(H,21,22)
InChIKeySLMUGHQWMNKWCY-UHFFFAOYSA-N
XLogP2.95
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
1-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 167959564
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843520
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773
1-[4-(imidazol-1-ylmethyl)phenyl]-3-(4-methoxy-1H-pyrazol-5-yl)urea
CID 155962944
1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166322333
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155945580
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide (CID 166262499) is N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide is Cc1[nH]nc2c1N(C(=O)Nc1ccc(Cn3ccnc3)cc1)CCC2.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The InChIKey is SLMUGHQWMNKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-17-16(22-21-13)3-2-9-24(17)18(25)20-15-6-4-14(5-7-15)11-23-10-8-19-12-23/h4-8,10,12H,2-3,9,11H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166262499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).