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

C19H20N8O2 — CID 58936001

IUPAC6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CNCC3)n[nH]1
InChIInChI=1S/C19H20N8O2/c1-10-6-16(26-24-10)22-18-13-8-20-5-4-14(13)21-17(23-18)9-29-11-2-3-12-15(7-11)25-27-19(12)28/h2-3,6-7,20H,4-5,8-9H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26)
InChIKeyOVMUETJTOTTYRD-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.65
Rot. Bonds5

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

6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936001) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID58936001
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CNCC3)n[nH]1
InChIInChI=1S/C19H20N8O2/c1-10-6-16(26-24-10)22-18-13-8-20-5-4-14(13)21-17(23-18)9-29-11-2-3-12-15(7-11)25-27-19(12)28/h2-3,6-7,20H,4-5,8-9H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26)
InChIKeyOVMUETJTOTTYRD-UHFFFAOYSA-N
XLogP1.65
TPSA136.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[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-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (CID 58936001) is 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CNCC3)n[nH]1.
What is the InChIKey of 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is OVMUETJTOTTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-10-6-16(26-24-10)22-18-13-8-20-5-4-14(13)21-17(23-18)9-29-11-2-3-12-15(7-11)25-27-19(12)28/h2-3,6-7,20H,4-5,8-9H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26).
What are the key properties of 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 392.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).