5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine

C29H28FN7 — CID 145037748

About 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine

5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine (PubChem CID 145037748) has the molecular formula C29H28FN7 and a molecular weight of 493.59 g/mol. Its IUPAC name is 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
• PubChem CID: 145037748
• Molecular Formula: C29H28FN7
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.24
• IUPAC Name: 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
• SMILES: C=C(CCC)Nc1cncc(C(=C)/C(F)=c2/c(-c3nc4c(C5=CCC=C5)cncc4[nH]3)n[nH]/c2=C/C)c1
• InChI: InChI=1S/C29H28FN7/c1-5-9-17(3)33-21-12-20(13-31-14-21)18(4)26(30)25-23(6-2)36-37-28(25)29-34-24-16-32-15-22(27(24)35-29)19-10-7-8-11-19/h6-7,10-16,33,36H,3-5,8-9H2,1-2H3,(H,34,35)/b23-6+,26-25-
• InChIKey: RGAGQTWIPWAWPC-NHLDORGZSA-N
• XLogP: 5.40
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The IUPAC name of 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine (CID 145037748) is 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The canonical SMILES for 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine is C=C(CCC)Nc1cncc(C(=C)/C(F)=c2/c(-c3nc4c(C5=CCC=C5)cncc4[nH]3)n[nH]/c2=C/C)c1.

What is the InChIKey of 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The InChIKey is RGAGQTWIPWAWPC-NHLDORGZSA-N. The full InChI is InChI=1S/C29H28FN7/c1-5-9-17(3)33-21-12-20(13-31-14-21)18(4)26(30)25-23(6-2)36-37-28(25)29-34-24-16-32-15-22(27(24)35-29)19-10-7-8-11-19/h6-7,10-16,33,36H,3-5,8-9H2,1-2H3,(H,34,35)/b23-6+,26-25-.

What are the key properties of 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine?

5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine has a molecular weight of 493.59 g/mol, XLogP of 5.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145037748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).