(2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine

C21H15FN8S — CID 137292906

About (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine

(2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine (PubChem CID 137292906) has the molecular formula C21H15FN8S and a molecular weight of 430.47 g/mol. Its IUPAC name is (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine.

Molecular Properties

• Compound Name: (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine
• PubChem CID: 137292906
• Molecular Formula: C21H15FN8S
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.11
• IUPAC Name: (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine
• SMILES: C=c1[nH]nc(-c2nc3c(-c4ccsc4)cncc3[nH]2)/c1=C(F)/C(=N/C)c1cncnc1
• InChI: InChI=1S/C21H15FN8S/c1-11-16(17(22)18(23-2)13-5-25-10-26-6-13)20(30-29-11)21-27-15-8-24-7-14(19(15)28-21)12-3-4-31-9-12/h3-10,29H,1H2,2H3,(H,27,28)/b17-16-,23-18+
• InChIKey: LWANGJJVPXCERP-LDEAKCMXSA-N
• XLogP: 2.47
• TPSA: 108.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine?

The IUPAC name of (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine (CID 137292906) is (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine.

What is the SMILES notation for (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine?

The canonical SMILES for (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine is C=c1[nH]nc(-c2nc3c(-c4ccsc4)cncc3[nH]2)/c1=C(F)/C(=N/C)c1cncnc1.

What is the InChIKey of (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine?

The InChIKey is LWANGJJVPXCERP-LDEAKCMXSA-N. The full InChI is InChI=1S/C21H15FN8S/c1-11-16(17(22)18(23-2)13-5-25-10-26-6-13)20(30-29-11)21-27-15-8-24-7-14(19(15)28-21)12-3-4-31-9-12/h3-10,29H,1H2,2H3,(H,27,28)/b17-16-,23-18+.

What are the key properties of (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine?

(2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine has a molecular weight of 430.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-fluoro-N-methyl-2-[5-methylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]-1-pyrimidin-5-ylethanimine is sourced from PubChem (CID 137292906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).