N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine

C23H21F2N5 — CID 144929041

About N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine

N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine (PubChem CID 144929041) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine
• PubChem CID: 144929041
• Molecular Formula: C23H21F2N5
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.18
• IUPAC Name: N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(CN(C)C)c1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
• InChI: InChI=1S/C23H21F2N5/c1-14(27-17-9-15(11-26-12-17)13-30(2)3)23-19-10-16(7-8-21(19)28-29-23)18-5-4-6-20(24)22(18)25/h4-12,27H,1,13H2,2-3H3,(H,28,29)
• InChIKey: UFKQDSZEBBGLOJ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine?

The IUPAC name of N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine (CID 144929041) is N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine.

What is the SMILES notation for N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine?

The canonical SMILES for N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine is C=C(Nc1cncc(CN(C)C)c1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.

What is the InChIKey of N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine?

The InChIKey is UFKQDSZEBBGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c1-14(27-17-9-15(11-26-12-17)13-30(2)3)23-19-10-16(7-8-21(19)28-29-23)18-5-4-6-20(24)22(18)25/h4-12,27H,1,13H2,2-3H3,(H,28,29).

What are the key properties of N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine?

N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine has a molecular weight of 405.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(2,3-difluorophenyl)-1H-indazol-3-yl]ethenyl]-5-[(dimethylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 144929041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).