6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one

C28H29FN6O4 — CID 77253026

About 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one

6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 77253026) has the molecular formula C28H29FN6O4 and a molecular weight of 532.58 g/mol. Its IUPAC name is 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 77253026
• Molecular Formula: C28H29FN6O4
• Molecular Weight: 532.58 g/mol
• Exact Mass: 532.22
• IUPAC Name: 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one
• SMILES: COc1ccc(CN2Cc3c(F)c(NC4CCOCC4N)nc(-c4cnn5ccccc45)c3C2=O)c(OC)c1
• InChI: InChI=1S/C28H29FN6O4/c1-37-17-7-6-16(23(11-17)38-2)13-34-14-19-24(28(34)36)26(18-12-31-35-9-4-3-5-22(18)35)33-27(25(19)29)32-21-8-10-39-15-20(21)30/h3-7,9,11-12,20-21H,8,10,13-15,30H2,1-2H3,(H,32,33)
• InChIKey: RBSMVMZPASOBQD-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 77253026) is 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one is COc1ccc(CN2Cc3c(F)c(NC4CCOCC4N)nc(-c4cnn5ccccc45)c3C2=O)c(OC)c1.

What is the InChIKey of 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one?

The InChIKey is RBSMVMZPASOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O4/c1-37-17-7-6-16(23(11-17)38-2)13-34-14-19-24(28(34)36)26(18-12-31-35-9-4-3-5-22(18)35)33-27(25(19)29)32-21-8-10-39-15-20(21)30/h3-7,9,11-12,20-21H,8,10,13-15,30H2,1-2H3,(H,32,33).

What are the key properties of 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one?

6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 532.58 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-aminooxan-4-yl)amino]-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 77253026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).