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

C20H24ClN5O3 — CID 137053840

IUPAC10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=C1CC(O)CCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H23N5O3.ClH/c26-13-6-9-24(18(28)10-13)15-3-1-2-14-19(15)20-22-17(27)11-16(25(20)23-14)12-4-7-21-8-5-12;/h1-3,11-13,21,26H,4-10H2,(H,22,27);1H
InChIKeyNMAPKOCNFMZWGJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP1.55
Rot. Bonds2

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

10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (PubChem CID 137053840) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.

Molecular Properties

Compound Name10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
PubChem CID137053840
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
SMILESCl.O=C1CC(O)CCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C20H23N5O3.ClH/c26-13-6-9-24(18(28)10-13)15-3-1-2-14-19(15)20-22-17(27)11-16(25(20)23-14)12-4-7-21-8-5-12;/h1-3,11-13,21,26H,4-10H2,(H,22,27);1H
InChIKeyNMAPKOCNFMZWGJ-UHFFFAOYSA-N
XLogP1.55
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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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
4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136953981
10-(3-fluoro-2-oxo-1-pyridinyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 137053799
10-(2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;2,2,2-trifluoroacetic acid
CID 137053855
4-[2-oxo-10-(2,2,2-trifluoroethylcarbamoylamino)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 137053864
4-[10-[3-(dimethylamino)propylcarbamoylamino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 137053961
2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137053970
tert-butyl 4-[10-(3-fluoro-2-oxo-1-pyridinyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137054016
tert-butyl 4-[10-[(3-fluoro-1,2-dihydropyridin-2-yl)amino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066329
tert-butyl 4-[10-[(5-fluoro-1,2-dihydropyridin-2-yl)amino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066344
2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066346
10-[(3,5-difluoro-1,2-dihydropyridin-2-yl)amino]-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 137066360

Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The IUPAC name of 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride (CID 137053840) is 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride.
What is the SMILES notation for 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The canonical SMILES for 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is Cl.O=C1CC(O)CCN1c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
The InChIKey is NMAPKOCNFMZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.ClH/c26-13-6-9-24(18(28)10-13)15-3-1-2-14-19(15)20-22-17(27)11-16(25(20)23-14)12-4-7-21-8-5-12;/h1-3,11-13,21,26H,4-10H2,(H,22,27);1H.
What are the key properties of 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride?
10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride has a molecular weight of 417.90 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride is sourced from PubChem (CID 137053840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).