2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine

C22H21FN6O — CID 142797831

About 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine

2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine (PubChem CID 142797831) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
• PubChem CID: 142797831
• Molecular Formula: C22H21FN6O
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.18
• IUPAC Name: 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine
• SMILES: NCc1cccc2c1cnn2-c1nc(N)c2c(n1)COCC2Cc1cccc(F)c1
• InChI: InChI=1S/C22H21FN6O/c23-16-5-1-3-13(8-16)7-15-11-30-12-18-20(15)21(25)28-22(27-18)29-19-6-2-4-14(9-24)17(19)10-26-29/h1-6,8,10,15H,7,9,11-12,24H2,(H2,25,27,28)
• InChIKey: ZMGXIEZRAVXWSY-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 104.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine (CID 142797831) is 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine is NCc1cccc2c1cnn2-c1nc(N)c2c(n1)COCC2Cc1cccc(F)c1.

What is the InChIKey of 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?

The InChIKey is ZMGXIEZRAVXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-16-5-1-3-13(8-16)7-15-11-30-12-18-20(15)21(25)28-22(27-18)29-19-6-2-4-14(9-24)17(19)10-26-29/h1-6,8,10,15H,7,9,11-12,24H2,(H2,25,27,28).

What are the key properties of 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine?

2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine has a molecular weight of 404.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aminomethyl)indazol-1-yl]-5-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142797831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).