5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C22H28N4O3 — CID 128991628

IUPAC5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NCC1CCn2ncc(C(=O)NCc3ccccc3OC3CCC3)c2C1
InChIInChI=1S/C22H28N4O3/c1-15(27)23-12-16-9-10-26-20(11-16)19(14-25-26)22(28)24-13-17-5-2-3-8-21(17)29-18-6-4-7-18/h2-3,5,8,14,16,18H,4,6-7,9-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyBEWUPFWZIAADAJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.44
Rot. Bonds7

About 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128991628) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128991628
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NCC1CCn2ncc(C(=O)NCc3ccccc3OC3CCC3)c2C1
InChIInChI=1S/C22H28N4O3/c1-15(27)23-12-16-9-10-26-20(11-16)19(14-25-26)22(28)24-13-17-5-2-3-8-21(17)29-18-6-4-7-18/h2-3,5,8,14,16,18H,4,6-7,9-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyBEWUPFWZIAADAJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166200358
5-(acetamidomethyl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 154754463
5-(acetamidomethyl)-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166250152
(5R)-5-(acetamidomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129478908
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
(5S)-N-propan-2-yl-5-[[[2-(1H-pyrrol-2-yl)acetyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129352651
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
5-(acetamidomethyl)-N-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167855760
tert-butyl N-[[3-(2-indazol-1-ylethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]carbamate
CID 167968604
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128991628) is 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)NCC1CCn2ncc(C(=O)NCc3ccccc3OC3CCC3)c2C1.
What is the InChIKey of 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BEWUPFWZIAADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(27)23-12-16-9-10-26-20(11-16)19(14-25-26)22(28)24-13-17-5-2-3-8-21(17)29-18-6-4-7-18/h2-3,5,8,14,16,18H,4,6-7,9-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128991628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).