N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine

C27H28N6 — CID 145308674

IUPACN-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine
SMILESC=C(c1nc2ccncc2[nH]1)c1cc(-c2cncc(NC(=C)C3CCCC3)c2)ccc1NC
InChIInChI=1S/C27H28N6/c1-17(27-32-25-10-11-29-16-26(25)33-27)23-13-20(8-9-24(23)28-3)21-12-22(15-30-14-21)31-18(2)19-6-4-5-7-19/h8-16,19,28,31H,1-2,4-7H2,3H3,(H,32,33)
InChIKeyDZJKNPZXLQWGOJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.24
Rot. Bonds7

About N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine

N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine (PubChem CID 145308674) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine
PubChem CID145308674
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC NameN-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine
SMILESC=C(c1nc2ccncc2[nH]1)c1cc(-c2cncc(NC(=C)C3CCCC3)c2)ccc1NC
InChIInChI=1S/C27H28N6/c1-17(27-32-25-10-11-29-16-26(25)33-27)23-13-20(8-9-24(23)28-3)21-12-22(15-30-14-21)31-18(2)19-6-4-5-7-19/h8-16,19,28,31H,1-2,4-7H2,3H3,(H,32,33)
InChIKeyDZJKNPZXLQWGOJ-UHFFFAOYSA-N
XLogP6.24
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-amino-3-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)phenyl]-N-(1-cyclohexylethenyl)pyridin-3-amine
CID 154655020
N-(1-cyclohexylethenyl)-5-[4-(methylamino)-3-[(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenyl]pyridin-3-amine
CID 145036103
N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline
CID 145308192
N-(1-cyclopentylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248245
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137087237
N-(1-cyclobutylethenyl)-5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145308121
N-(1-cyclopentylethenyl)-5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088660
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136943622
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
6-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-4-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine-2-carboximidoyl]pyridin-3-amine
CID 145037265
N-(1-cyclobutylethenyl)-5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145036254
N-(1-cyclopentylethenyl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145246910

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine?
The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine (CID 145308674) is N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine?
The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine is C=C(c1nc2ccncc2[nH]1)c1cc(-c2cncc(NC(=C)C3CCCC3)c2)ccc1NC.
What is the InChIKey of N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine?
The InChIKey is DZJKNPZXLQWGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-17(27-32-25-10-11-29-16-26(25)33-27)23-13-20(8-9-24(23)28-3)21-12-22(15-30-14-21)31-18(2)19-6-4-5-7-19/h8-16,19,28,31H,1-2,4-7H2,3H3,(H,32,33).
What are the key properties of N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine?
N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine has a molecular weight of 436.56 g/mol, XLogP of 6.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethenyl)-5-[3-[1-(3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-4-(methylamino)phenyl]pyridin-3-amine is sourced from PubChem (CID 145308674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).