4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one

C22H15F3N8O2 — CID 58936103

IUPAC4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1
InChIInChI=1S/C22H15F3N8O2/c23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20/h1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32)
InChIKeyMVRBKJYGCJOVGY-UHFFFAOYSA-N
MW480.41 g/mol
LogP3.12
Rot. Bonds3

About 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one

4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one (PubChem CID 58936103) has the molecular formula C22H15F3N8O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one
PubChem CID58936103
Molecular FormulaC22H15F3N8O2
Molecular Weight480.41 g/mol
Exact Mass480.13
IUPAC Name4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1
InChIInChI=1S/C22H15F3N8O2/c23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20/h1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32)
InChIKeyMVRBKJYGCJOVGY-UHFFFAOYSA-N
XLogP3.12
TPSA144.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one (CID 58936103) is 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one is O=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1.
What is the InChIKey of 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is MVRBKJYGCJOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N8O2/c23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20/h1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32).
What are the key properties of 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one?
4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 480.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 58936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).