N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

C18H19N5O2 — CID 155498652

IUPACN-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)C1CCn2nccc2C1
InChIInChI=1S/C18H19N5O2/c24-17(13-6-9-22-15(11-13)5-7-20-22)19-8-10-23-18(25)16-4-2-1-3-14(16)12-21-23/h1-5,7,12-13H,6,8-11H2,(H,19,24)
InChIKeyUYBNPKHWIRTHGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.97
Rot. Bonds4

About N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 155498652) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID155498652
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)C1CCn2nccc2C1
InChIInChI=1S/C18H19N5O2/c24-17(13-6-9-22-15(11-13)5-7-20-22)19-8-10-23-18(25)16-4-2-1-3-14(16)12-21-23/h1-5,7,12-13H,6,8-11H2,(H,19,24)
InChIKeyUYBNPKHWIRTHGS-UHFFFAOYSA-N
XLogP0.97
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135
(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136
N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131947886
N-[(1,4,5-trimethylimidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154816315
N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97188381
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
CID 56874919
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154567112
1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide
CID 166229178
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
2-[2-[[(3S)-thiolan-3-yl]amino]ethyl]phthalazin-1-one
CID 95141052
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155503014

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 155498652) is N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is O=C(NCCn1ncc2ccccc2c1=O)C1CCn2nccc2C1.
What is the InChIKey of N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is UYBNPKHWIRTHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(13-6-9-22-15(11-13)5-7-20-22)19-8-10-23-18(25)16-4-2-1-3-14(16)12-21-23/h1-5,7,12-13H,6,8-11H2,(H,19,24).
What are the key properties of N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 155498652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).