3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide

C37H35Cl2F2N5O4 — CID 68500391

About 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide

3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide (PubChem CID 68500391) has the molecular formula C37H35Cl2F2N5O4 and a molecular weight of 722.62 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide
• PubChem CID: 68500391
• Molecular Formula: C37H35Cl2F2N5O4
• Molecular Weight: 722.62 g/mol
• Exact Mass: 721.20
• IUPAC Name: 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide
• SMILES: CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(CF)CF)cc5)CC4)n(C)c3c2)nc1
• InChI: InChI=1S/C37H35Cl2F2N5O4/c1-43(36(47)26-6-11-31(38)32(39)17-26)27-7-12-35(42-22-27)50-29-10-5-25-18-34(44(2)33(25)19-29)37(48)46-15-13-45(14-16-46)23-24-3-8-28(9-4-24)49-30(20-40)21-41/h3-12,17-19,22,30H,13-16,20-21,23H2,1-2H3
• InChIKey: SSFKLFPJNAOLKF-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 80.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.62
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide?

The IUPAC name of 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide (CID 68500391) is 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide.

What is the SMILES notation for 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide?

The canonical SMILES for 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(CF)CF)cc5)CC4)n(C)c3c2)nc1.

What is the InChIKey of 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide?

The InChIKey is SSFKLFPJNAOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35Cl2F2N5O4/c1-43(36(47)26-6-11-31(38)32(39)17-26)27-7-12-35(42-22-27)50-29-10-5-25-18-34(44(2)33(25)19-29)37(48)46-15-13-45(14-16-46)23-24-3-8-28(9-4-24)49-30(20-40)21-41/h3-12,17-19,22,30H,13-16,20-21,23H2,1-2H3.

What are the key properties of 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide?

3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide has a molecular weight of 722.62 g/mol, XLogP of 7.59, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 68500391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).