N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

About N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145253319) has the molecular formula C30H29N7S and a molecular weight of 519.68 g/mol. Its IUPAC name is N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name	N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID	145253319
Molecular Formula	C30H29N7S
Molecular Weight	519.68 g/mol
Exact Mass	519.22
IUPAC Name	N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILES	C=C/C=C(/c1ccsc1)c1nc(-c2n[nH]c3ccc(-c4cncc(NC(=C)C5CCCC5)c4)nc23)[nH]c1C
InChI	InChI=1S/C30H29N7S/c1-4-7-24(21-12-13-38-17-21)27-19(3)33-30(35-27)29-28-26(36-37-29)11-10-25(34-28)22-14-23(16-31-15-22)32-18(2)20-8-5-6-9-20/h4,7,10-17,20,32H,1-2,5-6,8-9H2,3H3,(H,33,35)(H,36,37)/b24-7-
InChIKey	OAJIFJMGAXHBOJ-VAPIAZESSA-N
XLogP	7.51
TPSA	95.17 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.68
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145253319) is N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C/C=C(/c1ccsc1)c1nc(-c2n[nH]c3ccc(-c4cncc(NC(=C)C5CCCC5)c4)nc23)[nH]c1C.

What is the InChIKey of N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is OAJIFJMGAXHBOJ-VAPIAZESSA-N. The full InChI is InChI=1S/C30H29N7S/c1-4-7-24(21-12-13-38-17-21)27-19(3)33-30(35-27)29-28-26(36-37-29)11-10-25(34-28)22-14-23(16-31-15-22)32-18(2)20-8-5-6-9-20/h4,7,10-17,20,32H,1-2,5-6,8-9H2,3H3,(H,33,35)(H,36,37)/b24-7-.

What are the key properties of N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 519.68 g/mol, XLogP of 7.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145253319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).