4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one

C17H17N5O2 — CID 97208178

IUPAC4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
SMILESC[C@@H](C(=O)N1CCc2nc[nH]c2C1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H17N5O2/c1-10(15-11-4-2-3-5-12(11)16(23)21-20-15)17(24)22-7-6-13-14(8-22)19-9-18-13/h2-5,9-10H,6-8H2,1H3,(H,18,19)(H,21,23)/t10-/m1/s1
InChIKeyDFAYXMVPANAOIA-SNVBAGLBSA-N
MW323.36 g/mol
LogP1.33
Rot. Bonds2

About 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one

4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one (PubChem CID 97208178) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
PubChem CID97208178
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
SMILESC[C@@H](C(=O)N1CCc2nc[nH]c2C1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H17N5O2/c1-10(15-11-4-2-3-5-12(11)16(23)21-20-15)17(24)22-7-6-13-14(8-22)19-9-18-13/h2-5,9-10H,6-8H2,1H3,(H,18,19)(H,21,23)/t10-/m1/s1
InChIKeyDFAYXMVPANAOIA-SNVBAGLBSA-N
XLogP1.33
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
4-[1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131950335
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804
3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-2H-isoquinolin-1-one
CID 138054087
(2R)-2-(4-methylphenyl)sulfanyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 97189345
4-[1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 118778097
1-benzyl-N,N-dimethyl-5-[2-(4-oxo-3H-phthalazin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45161297
naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803031
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one;dihydrochloride
CID 154901094
4-[1-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131907658
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one (CID 97208178) is 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one is C[C@@H](C(=O)N1CCc2nc[nH]c2C1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one?
The InChIKey is DFAYXMVPANAOIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10(15-11-4-2-3-5-12(11)16(23)21-20-15)17(24)22-7-6-13-14(8-22)19-9-18-13/h2-5,9-10H,6-8H2,1H3,(H,18,19)(H,21,23)/t10-/m1/s1.
What are the key properties of 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one?
4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one has a molecular weight of 323.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 97208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).