10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C16H17ClN4O — CID 136962693

IUPAC10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Cl
InChIInChI=1S/C16H17ClN4O/c1-9-2-3-11-14(15(9)17)16-19-13(22)8-12(21(16)20-11)10-4-6-18-7-5-10/h2-3,8,10,18H,4-7H2,1H3,(H,19,22)
InChIKeyNIQBDMIDYSLUMX-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.60
Rot. Bonds1

About 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962693) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962693
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Cl
InChIInChI=1S/C16H17ClN4O/c1-9-2-3-11-14(15(9)17)16-19-13(22)8-12(21(16)20-11)10-4-6-18-7-5-10/h2-3,8,10,18H,4-7H2,1H3,(H,19,22)
InChIKeyNIQBDMIDYSLUMX-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

10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962520
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
13-bromo-6-piperidin-4-yl-3,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one
CID 136962645
ethane;4-piperidin-4-yl-10-thiophen-3-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 144841598
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066399
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358

Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962693) is 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is Cc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Cl.
What is the InChIKey of 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is NIQBDMIDYSLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-9-2-3-11-14(15(9)17)16-19-13(22)8-12(21(16)20-11)10-4-6-18-7-5-10/h2-3,8,10,18H,4-7H2,1H3,(H,19,22).
What are the key properties of 10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-chloro-9-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-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).