N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide

C39H35ClFN7O4 — CID 170135179

About N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide

N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide (PubChem CID 170135179) has the molecular formula C39H35ClFN7O4 and a molecular weight of 720.21 g/mol. Its IUPAC name is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide
• PubChem CID: 170135179
• Molecular Formula: C39H35ClFN7O4
• Molecular Weight: 720.21 g/mol
• Exact Mass: 719.24
• IUPAC Name: N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cn4)n3)CC1)n2C[C@@H]1CCO1)c1cc(F)c2c(c1)C1(CC1)C(=O)N2
• InChI: InChI=1S/C39H35ClFN7O4/c40-25-4-5-27(42-19-25)22-52-35-3-1-2-31(45-35)23-8-13-47(14-9-23)21-34-44-32-18-26(6-7-33(32)48(34)20-28-10-15-51-28)43-37(49)24-16-29-36(30(41)17-24)46-38(50)39(29)11-12-39/h1-8,16-19,28H,9-15,20-22H2,(H,43,49)(H,46,50)/t28-/m0/s1
• InChIKey: HFYZWQBRMYHUOR-NDEPHWFRSA-N
• XLogP: 6.51
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.21
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide?

The IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide (CID 170135179) is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide.

What is the SMILES notation for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide?

The canonical SMILES for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide is O=C(Nc1ccc2c(c1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cn4)n3)CC1)n2C[C@@H]1CCO1)c1cc(F)c2c(c1)C1(CC1)C(=O)N2.

What is the InChIKey of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide?

The InChIKey is HFYZWQBRMYHUOR-NDEPHWFRSA-N. The full InChI is InChI=1S/C39H35ClFN7O4/c40-25-4-5-27(42-19-25)22-52-35-3-1-2-31(45-35)23-8-13-47(14-9-23)21-34-44-32-18-26(6-7-33(32)48(34)20-28-10-15-51-28)43-37(49)24-16-29-36(30(41)17-24)46-38(50)39(29)11-12-39/h1-8,16-19,28H,9-15,20-22H2,(H,43,49)(H,46,50)/t28-/m0/s1.

What are the key properties of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide?

N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide has a molecular weight of 720.21 g/mol, XLogP of 6.51, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide is sourced from PubChem (CID 170135179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).