N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine

C22H23F2N7O — CID 145145171

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine (PubChem CID 145145171) has the molecular formula C22H23F2N7O and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine
• PubChem CID: 145145171
• Molecular Formula: C22H23F2N7O
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine
• SMILES: C=C(C)N.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3F)ccc2[nH]1
• InChI: InChI=1S/C19H16F2N6O.C3H7N/c1-9-6-11-12(24-9)4-5-14(16(11)20)28-19-17(21)18(22-8-23-19)25-15-7-13(26-27-15)10-2-3-10;1-3(2)4/h4-8,10,24H,2-3H2,1H3,(H2,22,23,25,26,27);1,4H2,2H3
• InChIKey: WBPCQRLTFLRYOW-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 117.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine (CID 145145171) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine is C=C(C)N.Cc1cc2c(F)c(Oc3ncnc(Nc4cc(C5CC5)[nH]n4)c3F)ccc2[nH]1.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine?

The InChIKey is WBPCQRLTFLRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O.C3H7N/c1-9-6-11-12(24-9)4-5-14(16(11)20)28-19-17(21)18(22-8-23-19)25-15-7-13(26-27-15)10-2-3-10;1-3(2)4/h4-8,10,24H,2-3H2,1H3,(H2,22,23,25,26,27);1,4H2,2H3.

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine has a molecular weight of 439.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine;prop-1-en-2-amine is sourced from PubChem (CID 145145171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).