4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one

C24H24N4O2 — CID 136954169

IUPAC4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESCC(=O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccc5C)cccc4nn23)CC1
InChIInChI=1S/C24H24N4O2/c1-15-6-3-4-7-18(15)19-8-5-9-20-23(19)24-25-22(30)14-21(28(24)26-20)17-10-12-27(13-11-17)16(2)29/h3-9,14,17H,10-13H2,1-2H3,(H,25,30)
InChIKeyPUEDPERXJAKFDZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.88
Rot. Bonds2

About 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one

4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136954169) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136954169
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESCC(=O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccc5C)cccc4nn23)CC1
InChIInChI=1S/C24H24N4O2/c1-15-6-3-4-7-18(15)19-8-5-9-20-23(19)24-25-22(30)14-21(28(24)26-20)17-10-12-27(13-11-17)16(2)29/h3-9,14,17H,10-13H2,1-2H3,(H,25,30)
InChIKeyPUEDPERXJAKFDZ-UHFFFAOYSA-N
XLogP3.88
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 136954043
4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 141446586
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954027
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954064
tert-butyl 4-[10-(tert-butylcarbamoylamino)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137054009
tert-butyl 4-[10-(dimethylcarbamoyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066334
tert-butyl 4-(2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962861
tert-butyl 4-[2-oxo-10-(triazol-1-yl)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 136962702
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one (CID 136954169) is 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one is CC(=O)N1CCC(c2cc(=O)[nH]c3c4c(-c5ccccc5C)cccc4nn23)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is PUEDPERXJAKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-6-3-4-7-18(15)19-8-5-9-20-23(19)24-25-22(30)14-21(28(24)26-20)17-10-12-27(13-11-17)16(2)29/h3-9,14,17H,10-13H2,1-2H3,(H,25,30).
What are the key properties of 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one?
4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136954169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).