10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

C21H18F2N4O — CID 136962518

IUPAC10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-c4c(F)cccc4F)c3c2[nH]1
InChIInChI=1S/C21H18F2N4O/c22-14-4-2-5-15(23)19(14)13-3-1-6-16-20(13)21-25-18(28)11-17(27(21)26-16)12-7-9-24-10-8-12/h1-6,11-12,24H,7-10H2,(H,25,28)
InChIKeyDXKYIFAFNBESMY-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.59
Rot. Bonds2

About 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one

10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 136962518) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID136962518
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1cc(C2CCNCC2)n2nc3cccc(-c4c(F)cccc4F)c3c2[nH]1
InChIInChI=1S/C21H18F2N4O/c22-14-4-2-5-15(23)19(14)13-3-1-6-16-20(13)21-25-18(28)11-17(27(21)26-16)12-7-9-24-10-8-12/h1-6,11-12,24H,7-10H2,(H,25,28)
InChIKeyDXKYIFAFNBESMY-UHFFFAOYSA-N
XLogP3.59
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one (CID 136962518) is 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is O=c1cc(C2CCNCC2)n2nc3cccc(-c4c(F)cccc4F)c3c2[nH]1.
What is the InChIKey of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is DXKYIFAFNBESMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-14-4-2-5-15(23)19(14)13-3-1-6-16-20(13)21-25-18(28)11-17(27(21)26-16)12-7-9-24-10-8-12/h1-6,11-12,24H,7-10H2,(H,25,28).
What are the key properties of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one?
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 136962518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).