6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one

C22H20N6O2 — CID 122186071

IUPAC6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)[nH]1
InChIInChI=1S/C22H20N6O2/c29-20-12-16(7-10-28(20)13-15-4-2-1-3-5-15)27-11-8-18-17(14-27)21(26-25-18)19-6-9-23-22(30)24-19/h1-7,9-10,12H,8,11,13-14H2,(H,25,26)(H,23,24,30)
InChIKeyLADNPVGMMNNTKL-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.93
Rot. Bonds4

About 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one

6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one (PubChem CID 122186071) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one
PubChem CID122186071
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)[nH]1
InChIInChI=1S/C22H20N6O2/c29-20-12-16(7-10-28(20)13-15-4-2-1-3-5-15)27-11-8-18-17(14-27)21(26-25-18)19-6-9-23-22(30)24-19/h1-7,9-10,12H,8,11,13-14H2,(H,25,26)(H,23,24,30)
InChIKeyLADNPVGMMNNTKL-UHFFFAOYSA-N
XLogP1.93
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

1-Benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one
CID 122186070
5-[5-(1-Benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1-methylpyridin-2-one
CID 122186072
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874
N-{3-[4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl}urea
CID 56712626
6-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1H-pyrimidine-2,4-dione
CID 56738859
1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 56744336
6-[(3-naphthalen-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 56749858
N'-{2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,N-dimethylurea
CID 56756785
1-Ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one
CID 56758139
4-benzyl-3-[2-oxo-2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-2-piperazinone
CID 56905994
2-amino-6-[4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-ol
CID 136052609
(E)-N-[2-oxo-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 176734259

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one (CID 122186071) is 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one is O=c1nccc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)[nH]1.
What is the InChIKey of 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is LADNPVGMMNNTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-20-12-16(7-10-28(20)13-15-4-2-1-3-5-15)27-11-8-18-17(14-27)21(26-25-18)19-6-9-23-22(30)24-19/h1-7,9-10,12H,8,11,13-14H2,(H,25,26)(H,23,24,30).
What are the key properties of 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one?
6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 400.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 122186071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).