7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one

C17H18N4O2 — CID 167839543

IUPAC7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one
SMILESCOc1ccc2cnn(Cc3cc4n(n3)CCCC4)c(=O)c2c1
InChIInChI=1S/C17H18N4O2/c1-23-15-6-5-12-10-18-21(17(22)16(12)9-15)11-13-8-14-4-2-3-7-20(14)19-13/h5-6,8-10H,2-4,7,11H2,1H3
InChIKeyOSDBLLSAQXKKOJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.99
Rot. Bonds3

About 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one

7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one (PubChem CID 167839543) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one
PubChem CID167839543
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one
SMILESCOc1ccc2cnn(Cc3cc4n(n3)CCCC4)c(=O)c2c1
InChIInChI=1S/C17H18N4O2/c1-23-15-6-5-12-10-18-21(17(22)16(12)9-15)11-13-8-14-4-2-3-7-20(14)19-13/h5-6,8-10H,2-4,7,11H2,1H3
InChIKeyOSDBLLSAQXKKOJ-UHFFFAOYSA-N
XLogP1.99
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one
CID 166240414
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899394
7-chloro-5-(1-hydroxyethyl)-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165392792
6-methoxy-2-(2-methylsulfonylethyl)phthalazin-1-one
CID 156767516
2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 167840631
2-[(4-methoxyphenyl)methyl]-5-[1-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-ylamino]-4-(trifluoromethyl)pyridazin-3-one
CID 175534864
7-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]isoquinolin-1-one
CID 84594385
5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165393026
5-[[(2S)-1-[dideuterio-[4,4-dideuterio-5-[(4-methoxyphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-yl]amino]-2-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 170775634
2-(1-methoxy-2-methylpropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 123344082
5-chloro-2-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904431
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one?
The IUPAC name of 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one (CID 167839543) is 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one?
The canonical SMILES for 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one is COc1ccc2cnn(Cc3cc4n(n3)CCCC4)c(=O)c2c1.
What is the InChIKey of 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one?
The InChIKey is OSDBLLSAQXKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-15-6-5-12-10-18-21(17(22)16(12)9-15)11-13-8-14-4-2-3-7-20(14)19-13/h5-6,8-10H,2-4,7,11H2,1H3.
What are the key properties of 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one?
7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one has a molecular weight of 310.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 167839543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).