5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

About 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145308573) has the molecular formula C35H36FN7 and a molecular weight of 573.72 g/mol. Its IUPAC name is 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name	5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
PubChem CID	145308573
Molecular Formula	C35H36FN7
Molecular Weight	573.72 g/mol
Exact Mass	573.30
IUPAC Name	5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
SMILES	C=C(CC(C)C)Nc1cncc(-c2ccc(N)c(C(=C)c3nc4c(-c5cc(F)cc(CN6CCC6)c5)cncc4[nH]3)c2)c1
InChI	InChI=1S/C35H36FN7/c1-21(2)10-22(3)40-29-14-27(16-38-17-29)25-6-7-32(37)30(15-25)23(4)35-41-33-19-39-18-31(34(33)42-35)26-11-24(12-28(36)13-26)20-43-8-5-9-43/h6-7,11-19,21,40H,3-5,8-10,20,37H2,1-2H3,(H,41,42)
InChIKey	PADZMBBGLKTWPP-UHFFFAOYSA-N
XLogP	7.65
TPSA	95.75 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.72
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145308573) is 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2ccc(N)c(C(=C)c3nc4c(-c5cc(F)cc(CN6CCC6)c5)cncc4[nH]3)c2)c1.

What is the InChIKey of 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is PADZMBBGLKTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN7/c1-21(2)10-22(3)40-29-14-27(16-38-17-29)25-6-7-32(37)30(15-25)23(4)35-41-33-19-39-18-31(34(33)42-35)26-11-24(12-28(36)13-26)20-43-8-5-9-43/h6-7,11-19,21,40H,3-5,8-10,20,37H2,1-2H3,(H,41,42).

What are the key properties of 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 573.72 g/mol, XLogP of 7.65, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-3-[1-[7-[3-(azetidin-1-ylmethyl)-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]phenyl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145308573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).