10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C16H17ClN4O — CID 136962547

IUPAC10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(Cl)c2c(c1)nn1c(C3CCNCC3)cc(=O)[nH]c21
InChIInChI=1S/C16H17ClN4O/c1-9-6-11(17)15-12(7-9)20-21-13(8-14(22)19-16(15)21)10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,19,22)
InChIKeyOOCUXPKWDWOLFE-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.60
Rot. Bonds1

About 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962547) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962547
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(Cl)c2c(c1)nn1c(C3CCNCC3)cc(=O)[nH]c21
InChIInChI=1S/C16H17ClN4O/c1-9-6-11(17)15-12(7-9)20-21-13(8-14(22)19-16(15)21)10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,19,22)
InChIKeyOOCUXPKWDWOLFE-UHFFFAOYSA-N
XLogP2.60
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053856
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
2-[5-[(3-chlorophenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018020
N-benzyl-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16034526
N-(3-chloro-2-methylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282391
10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962549
N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20951621
6-[2-(2-Chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975156
6-[2-(2-Chloro-4-fluorophenyl)-6-(methylaminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136350372
6-[2-(2-Chloro-4-fluorophenyl)-6-(diethylaminomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136406899
4-(10-chloro-9-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954038
8-fluoro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962460

Frequently Asked Questions

What is the IUPAC name of 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962547) is 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is Cc1cc(Cl)c2c(c1)nn1c(C3CCNCC3)cc(=O)[nH]c21.
What is the InChIKey of 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is OOCUXPKWDWOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-9-6-11(17)15-12(7-9)20-21-13(8-14(22)19-16(15)21)10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,19,22).
What are the key properties of 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 316.79 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).