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

C21H27N5O4 — CID 166200358

IUPAC5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2cnn3c2CC(CNC(C)=O)CC3)c1
InChIInChI=1S/C21H27N5O4/c1-14(27)23-10-16-6-7-26-19(9-16)18(12-25-26)21(29)24-11-15-4-3-5-17(8-15)30-13-20(28)22-2/h3-5,8,12,16H,6-7,9-11,13H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyPLXBQJCZRSOBPS-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.64
Rot. Bonds8

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

5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166200358) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166200358
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)COc1cccc(CNC(=O)c2cnn3c2CC(CNC(C)=O)CC3)c1
InChIInChI=1S/C21H27N5O4/c1-14(27)23-10-16-6-7-26-19(9-16)18(12-25-26)21(29)24-11-15-4-3-5-17(8-15)30-13-20(28)22-2/h3-5,8,12,16H,6-7,9-11,13H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyPLXBQJCZRSOBPS-UHFFFAOYSA-N
XLogP0.64
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128974725
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
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
N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402
(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-amino-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463014
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 166200358) is 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)COc1cccc(CNC(=O)c2cnn3c2CC(CNC(C)=O)CC3)c1.
What is the InChIKey of 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PLXBQJCZRSOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-14(27)23-10-16-6-7-26-19(9-16)18(12-25-26)21(29)24-11-15-4-3-5-17(8-15)30-13-20(28)22-2/h3-5,8,12,16H,6-7,9-11,13H2,1-2H3,(H,22,28)(H,23,27)(H,24,29).
What are the key properties of 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166200358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).