6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one

C26H26N8O2 — CID 58936176

IUPAC6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CN(Cc2ccccc2)CC3)n[nH]1
InChIInChI=1S/C26H26N8O2/c1-16-11-23(32-30-16)28-25-20-14-34(13-17-5-3-2-4-6-17)10-9-21(20)27-24(29-25)15-36-18-7-8-19-22(12-18)31-33-26(19)35/h2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32)
InChIKeyHQOSVSHVEFGXTH-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.56
Rot. Bonds7

About 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one

6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936176) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID58936176
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CN(Cc2ccccc2)CC3)n[nH]1
InChIInChI=1S/C26H26N8O2/c1-16-11-23(32-30-16)28-25-20-14-34(13-17-5-3-2-4-6-17)10-9-21(20)27-24(29-25)15-36-18-7-8-19-22(12-18)31-33-26(19)35/h2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32)
InChIKeyHQOSVSHVEFGXTH-UHFFFAOYSA-N
XLogP3.56
TPSA127.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (CID 58936176) is 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CN(Cc2ccccc2)CC3)n[nH]1.
What is the InChIKey of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is HQOSVSHVEFGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-16-11-23(32-30-16)28-25-20-14-34(13-17-5-3-2-4-6-17)10-9-21(20)27-24(29-25)15-36-18-7-8-19-22(12-18)31-33-26(19)35/h2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32).
What are the key properties of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 482.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).