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

C16H18BrClN4O — CID 136962520

IUPAC10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Br.Cl
InChIInChI=1S/C16H17BrN4O.ClH/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);1H
InChIKeyCPASMJFWWXWFAR-UHFFFAOYSA-N
MW397.70 g/mol
LogP3.14
Rot. Bonds1

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

10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 136962520) has the molecular formula C16H18BrClN4O and a molecular weight of 397.70 g/mol. Its IUPAC name is 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID136962520
Molecular FormulaC16H18BrClN4O
Molecular Weight397.70 g/mol
Exact Mass396.04
IUPAC Name10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Br.Cl
InChIInChI=1S/C16H17BrN4O.ClH/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);1H
InChIKeyCPASMJFWWXWFAR-UHFFFAOYSA-N
XLogP3.14
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962693
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
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
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
N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
CID 137053869
6-piperidin-4-yl-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-4-one;hydrochloride
CID 136962753
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962723
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
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368

Frequently Asked Questions

What is the IUPAC name of 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The IUPAC name of 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 136962520) is 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cc1ccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c2c1Br.Cl.
What is the InChIKey of 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The InChIKey is CPASMJFWWXWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O.ClH/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);1H.
What are the key properties of 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 397.70 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is sourced from PubChem (CID 136962520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).