[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

C21H20N6O2 — CID 146515828

IUPAC[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(-c2c3c(nn2C)[C@H](N)N(C(=O)c2ccc4nccnc4c2)CC3)o1
InChIInChI=1S/C21H20N6O2/c1-12-3-6-17(29-12)19-14-7-10-27(20(22)18(14)25-26(19)2)21(28)13-4-5-15-16(11-13)24-9-8-23-15/h3-6,8-9,11,20H,7,10,22H2,1-2H3/t20-/m1/s1
InChIKeyXUGGEVTULOFJJF-HXUWFJFHSA-N
MW388.43 g/mol
LogP2.59
Rot. Bonds2

About [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (PubChem CID 146515828) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
PubChem CID146515828
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCc1ccc(-c2c3c(nn2C)[C@H](N)N(C(=O)c2ccc4nccnc4c2)CC3)o1
InChIInChI=1S/C21H20N6O2/c1-12-3-6-17(29-12)19-14-7-10-27(20(22)18(14)25-26(19)2)21(28)13-4-5-15-16(11-13)24-9-8-23-15/h3-6,8-9,11,20H,7,10,22H2,1-2H3/t20-/m1/s1
InChIKeyXUGGEVTULOFJJF-HXUWFJFHSA-N
XLogP2.59
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (CID 146515828) is [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is Cc1ccc(-c2c3c(nn2C)[C@H](N)N(C(=O)c2ccc4nccnc4c2)CC3)o1.
What is the InChIKey of [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The InChIKey is XUGGEVTULOFJJF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12-3-6-17(29-12)19-14-7-10-27(20(22)18(14)25-26(19)2)21(28)13-4-5-15-16(11-13)24-9-8-23-15/h3-6,8-9,11,20H,7,10,22H2,1-2H3/t20-/m1/s1.
What are the key properties of [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
[(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone has a molecular weight of 388.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-amino-2-methyl-3-(5-methylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 146515828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).