N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide

C27H20FN7OS — CID 145036079

About N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 145036079) has the molecular formula C27H20FN7OS and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 145036079
• Molecular Formula: C27H20FN7OS
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.14
• IUPAC Name: N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cc3c(cc2F)CNN=C3c2nc3nccc(-c4cccs4)c3[nH]2)c1)C1CC1
• InChI: InChI=1S/C27H20FN7OS/c28-21-9-16-12-31-35-24(26-33-23-18(22-2-1-7-37-22)5-6-30-25(23)34-26)20(16)10-19(21)15-8-17(13-29-11-15)32-27(36)14-3-4-14/h1-2,5-11,13-14,31H,3-4,12H2,(H,32,36)(H,30,33,34)
• InChIKey: WCGKSBIBQMTMJH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 107.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 145036079) is N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cc3c(cc2F)CNN=C3c2nc3nccc(-c4cccs4)c3[nH]2)c1)C1CC1.

What is the InChIKey of N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide?

The InChIKey is WCGKSBIBQMTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7OS/c28-21-9-16-12-31-35-24(26-33-23-18(22-2-1-7-37-22)5-6-30-25(23)34-26)20(16)10-19(21)15-8-17(13-29-11-15)32-27(36)14-3-4-14/h1-2,5-11,13-14,31H,3-4,12H2,(H,32,36)(H,30,33,34).

What are the key properties of N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide?

N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 509.57 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-fluoro-4-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2-dihydrophthalazin-6-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 145036079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).