N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide

C22H28N4O2 — CID 167890969

IUPACN-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
SMILESCCC1CCN(C(=O)c2cnn3c2CC(CNC(C)=O)CC3)c2ccccc21
InChIInChI=1S/C22H28N4O2/c1-3-17-9-10-25(20-7-5-4-6-18(17)20)22(28)19-14-24-26-11-8-16(12-21(19)26)13-23-15(2)27/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,23,27)
InChIKeyVZCHEEGKQDDDRQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.13
Rot. Bonds4

About N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide

N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide (PubChem CID 167890969) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
PubChem CID167890969
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
SMILESCCC1CCN(C(=O)c2cnn3c2CC(CNC(C)=O)CC3)c2ccccc21
InChIInChI=1S/C22H28N4O2/c1-3-17-9-10-25(20-7-5-4-6-18(17)20)22(28)19-14-24-26-11-8-16(12-21(19)26)13-23-15(2)27/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,23,27)
InChIKeyVZCHEEGKQDDDRQ-UHFFFAOYSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
(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-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
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-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
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-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402
5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166200358
2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
CID 128971505

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide (CID 167890969) is N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide is CCC1CCN(C(=O)c2cnn3c2CC(CNC(C)=O)CC3)c2ccccc21.
What is the InChIKey of N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The InChIKey is VZCHEEGKQDDDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-17-9-10-25(20-7-5-4-6-18(17)20)22(28)19-14-24-26-11-8-16(12-21(19)26)13-23-15(2)27/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,23,27).
What are the key properties of N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 167890969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).