3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one

C21H22N8O — CID 71253681

IUPAC3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one
SMILESCCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O
InChIInChI=1S/C21H22N8O/c1-2-28-13-23-11-15(21(28)30)17-10-14-18(12-24-17)26-27-20(14)16-4-3-5-19(25-16)29-8-6-22-7-9-29/h3-5,10-13,22H,2,6-9H2,1H3,(H,26,27)
InChIKeyBAUZKJYZGGFFLL-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.67
Rot. Bonds4

About 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one

3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one (PubChem CID 71253681) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one
PubChem CID71253681
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one
SMILESCCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O
InChIInChI=1S/C21H22N8O/c1-2-28-13-23-11-15(21(28)30)17-10-14-18(12-24-17)26-27-20(14)16-4-3-5-19(25-16)29-8-6-22-7-9-29/h3-5,10-13,22H,2,6-9H2,1H3,(H,26,27)
InChIKeyBAUZKJYZGGFFLL-UHFFFAOYSA-N
XLogP1.67
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
Gpd-1116
CID 9841417
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
Dipyridodiazepinone deriv. 54
CID 5327611
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
Clk1/2-IN-2
CID 59175616
Jqez5
CID 121322599
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one (CID 71253681) is 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one is CCn1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1=O.
What is the InChIKey of 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one?
The InChIKey is BAUZKJYZGGFFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-2-28-13-23-11-15(21(28)30)17-10-14-18(12-24-17)26-27-20(14)16-4-3-5-19(25-16)29-8-6-22-7-9-29/h3-5,10-13,22H,2,6-9H2,1H3,(H,26,27).
What are the key properties of 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one?
3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one has a molecular weight of 402.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one is sourced from PubChem (CID 71253681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).