5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C23H26N4O2 — CID 128974725

IUPAC5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1CC(CNCc1cccc(OCc3ccccc3)c1)CC2
InChIInChI=1S/C23H26N4O2/c24-23(28)21-15-26-27-10-9-19(12-22(21)27)14-25-13-18-7-4-8-20(11-18)29-16-17-5-2-1-3-6-17/h1-8,11,15,19,25H,9-10,12-14,16H2,(H2,24,28)
InChIKeyMDMFUOPRLRKOFV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.91
Rot. Bonds8

About 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128974725) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128974725
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1CC(CNCc1cccc(OCc3ccccc3)c1)CC2
InChIInChI=1S/C23H26N4O2/c24-23(28)21-15-26-27-10-9-19(12-22(21)27)14-25-13-18-7-4-8-20(11-18)29-16-17-5-2-1-3-6-17/h1-8,11,15,19,25H,9-10,12-14,16H2,(H2,24,28)
InChIKeyMDMFUOPRLRKOFV-UHFFFAOYSA-N
XLogP2.91
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166200358
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2-[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-4-carboxamide
CID 98126365
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358
(3R,6S)-1-acetyl-6-amino-N-[(3-phenylmethoxyphenyl)methyl]azepane-3-carboxamide;hydrochloride
CID 166598822
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51986497

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128974725) is 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2c1CC(CNCc1cccc(OCc3ccccc3)c1)CC2.
What is the InChIKey of 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MDMFUOPRLRKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-23(28)21-15-26-27-10-9-19(12-22(21)27)14-25-13-18-7-4-8-20(11-18)29-16-17-5-2-1-3-6-17/h1-8,11,15,19,25H,9-10,12-14,16H2,(H2,24,28).
What are the key properties of 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128974725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).