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

C15H16Cl2N4O — CID 136962549

IUPAC10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccc(Cl)c3c2[nH]1
InChIInChI=1S/C15H15ClN4O.ClH/c16-10-2-1-3-11-14(10)15-18-13(21)8-12(20(15)19-11)9-4-6-17-7-5-9;/h1-3,8-9,17H,4-7H2,(H,18,21);1H
InChIKeyYGEYHTIYIKSPQZ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.72
Rot. Bonds1

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

10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 136962549) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID136962549
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc3cccc(Cl)c3c2[nH]1
InChIInChI=1S/C15H15ClN4O.ClH/c16-10-2-1-3-11-14(10)15-18-13(21)8-12(20(15)19-11)9-4-6-17-7-5-9;/h1-3,8-9,17H,4-7H2,(H,18,21);1H
InChIKeyYGEYHTIYIKSPQZ-UHFFFAOYSA-N
XLogP2.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylpyrimido[1,2-b]indazol-2(6H)-one
CID 135460475
10-chloro-8-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962547
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
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 16026531
2-[5-[(4-chlorophenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018019
2-[5-[(3-chlorophenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018020
N-(3-Chloro-4-methylphenyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-4-carboxamide
CID 16011630
N-butyl-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026273
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
N-(3-chloro-2-methylphenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20951621

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The IUPAC name of 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 136962549) is 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2nc3cccc(Cl)c3c2[nH]1.
What is the InChIKey of 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The InChIKey is YGEYHTIYIKSPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O.ClH/c16-10-2-1-3-11-14(10)15-18-13(21)8-12(20(15)19-11)9-4-6-17-7-5-9;/h1-3,8-9,17H,4-7H2,(H,18,21);1H.
What are the key properties of 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 339.23 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is sourced from PubChem (CID 136962549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).