4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one

C20H19N7O2 — CID 17489095

IUPAC4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCn1ncc2c(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)ncnc21
InChIInChI=1S/C20H19N7O2/c1-25-18-15(11-23-25)19(22-12-21-18)26-6-8-27(9-7-26)20(29)14-10-17(28)24-16-5-3-2-4-13(14)16/h2-5,10-12H,6-9H2,1H3,(H,24,28)
InChIKeyNXKADJPBXZLORJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.17
Rot. Bonds2

About 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 17489095) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID17489095
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCn1ncc2c(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)ncnc21
InChIInChI=1S/C20H19N7O2/c1-25-18-15(11-23-25)19(22-12-21-18)26-6-8-27(9-7-26)20(29)14-10-17(28)24-16-5-3-2-4-13(14)16/h2-5,10-12H,6-9H2,1H3,(H,24,28)
InChIKeyNXKADJPBXZLORJ-UHFFFAOYSA-N
XLogP1.17
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Eganelisib
CID 91933883
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk 343
CID 71268957
Discontinued See A191400
CID 71450146
Unc1999
CID 72551585
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931
GSK-3|A inhibitor 13
CID 134551592
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
CID 5329470

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 17489095) is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one is Cn1ncc2c(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)ncnc21.
What is the InChIKey of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is NXKADJPBXZLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-25-18-15(11-23-25)19(22-12-21-18)26-6-8-27(9-7-26)20(29)14-10-17(28)24-16-5-3-2-4-13(14)16/h2-5,10-12H,6-9H2,1H3,(H,24,28).
What are the key properties of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 389.42 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 17489095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).