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

C20H24ClN5O2 — CID 137053923

IUPAC10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=C1CCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H23N5O2.ClH/c26-17-12-16(13-7-9-21-10-8-13)25-20(22-17)19-14(23-25)4-3-5-15(19)24-11-2-1-6-18(24)27;/h3-5,12-13,21H,1-2,6-11H2,(H,22,26);1H
InChIKeySRUXASDVAPOLGA-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.58
Rot. Bonds2

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

10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 137053923) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID137053923
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=C1CCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H23N5O2.ClH/c26-17-12-16(13-7-9-21-10-8-13)25-20(22-17)19-14(23-25)4-3-5-15(19)24-11-2-1-6-18(24)27;/h3-5,12-13,21H,1-2,6-11H2,(H,22,26);1H
InChIKeySRUXASDVAPOLGA-UHFFFAOYSA-N
XLogP2.58
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053840
3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-1,3-oxazinan-2-one
CID 137053877
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962723
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
4-piperidin-4-yl-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-2-one
CID 136962724
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
CID 137053824
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
ethane;4-piperidin-4-yl-10-thiophen-3-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 144841598
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
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
N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
CID 137053783

Frequently Asked Questions

What is the IUPAC name of 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The IUPAC name of 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 137053923) is 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cl.O=C1CCCCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The InChIKey is SRUXASDVAPOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.ClH/c26-17-12-16(13-7-9-21-10-8-13)25-20(22-17)19-14(23-25)4-3-5-15(19)24-11-2-1-6-18(24)27;/h3-5,12-13,21H,1-2,6-11H2,(H,22,26);1H.
What are the key properties of 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 401.90 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is sourced from PubChem (CID 137053923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).