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

C23H24F2N4O — CID 144841590

IUPAC10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
SMILESCC.O=c1cc(C2CCNCC2)n2nc3cccc(-c4c(F)cccc4F)c3c2[nH]1
InChIInChI=1S/C21H18F2N4O.C2H6/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;1-2/h1-6,11-12,24H,7-10H2,(H,25,28);1-2H3
InChIKeyNNBBKPXDTOSKMH-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.61
Rot. Bonds2

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

10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane (PubChem CID 144841590) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane.

Molecular Properties

Compound Name10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
PubChem CID144841590
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
SMILESCC.O=c1cc(C2CCNCC2)n2nc3cccc(-c4c(F)cccc4F)c3c2[nH]1
InChIInChI=1S/C21H18F2N4O.C2H6/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;1-2/h1-6,11-12,24H,7-10H2,(H,25,28);1-2H3
InChIKeyNNBBKPXDTOSKMH-UHFFFAOYSA-N
XLogP4.61
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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;ethane?
The IUPAC name of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane (CID 144841590) is 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane.
What is the SMILES notation for 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane?
The canonical SMILES for 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane is CC.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;ethane?
The InChIKey is NNBBKPXDTOSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O.C2H6/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;1-2/h1-6,11-12,24H,7-10H2,(H,25,28);1-2H3.
What are the key properties of 10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane?
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane has a molecular weight of 410.47 g/mol, XLogP of 4.61, 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;ethane is sourced from PubChem (CID 144841590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).