4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one

C22H19F3N4O — CID 136962479

IUPAC4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-c4ccccc4C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)16-6-2-1-4-14(16)15-5-3-7-17-20(15)21-27-19(30)12-18(29(21)28-17)13-8-10-26-11-9-13/h1-7,12-13,26H,8-11H2,(H,27,30)
InChIKeyHRTZQFUZXIJCKY-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.33
Rot. Bonds2

About 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one

4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962479) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962479
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-c4ccccc4C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)16-6-2-1-4-14(16)15-5-3-7-17-20(15)21-27-19(30)12-18(29(21)28-17)13-8-10-26-11-9-13/h1-7,12-13,26H,8-11H2,(H,27,30)
InChIKeyHRTZQFUZXIJCKY-UHFFFAOYSA-N
XLogP4.33
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
4-methylpyrimido[1,2-b]indazol-2(6H)-one
CID 135460475
6-[2-(4-Fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135523986
9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962569
4-ethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137053762
1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053856
5-[[[2-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-1-phenyl-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136498947
N-[3-(naphthalen-1-ylamino)-1H-indazol-5-yl]piperidine-4-carboxamide
CID 145959005
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
1-[4-[2-Benzyl-6-(3-fluorophenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 168276586

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one (CID 136962479) is 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cccc(-c4ccccc4C(F)(F)F)c3c2[nH]1.
What is the InChIKey of 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is HRTZQFUZXIJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)16-6-2-1-4-14(16)15-5-3-7-17-20(15)21-27-19(30)12-18(29(21)28-17)13-8-10-26-11-9-13/h1-7,12-13,26H,8-11H2,(H,27,30).
What are the key properties of 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one?
4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 412.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-10-[2-(trifluoromethyl)phenyl]-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).