N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide

C31H32N4O3 — CID 177345961

About N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide

N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide (PubChem CID 177345961) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide.

Molecular Properties

• Compound Name: N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide
• PubChem CID: 177345961
• Molecular Formula: C31H32N4O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.25
• IUPAC Name: N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide
• SMILES: COc1ccc(NC=O)c(C2CC2c2ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c2)c1
• InChI: InChI=1S/C31H32N4O3/c1-37-24-8-11-29(32-20-36)28(17-24)27-18-26(27)23-7-9-25-30(33-34-31(25)16-23)10-6-21-2-4-22(5-3-21)19-35-12-14-38-15-13-35/h2-11,16-17,20,26-27H,12-15,18-19H2,1H3,(H,32,36)(H,33,34)/b10-6+
• InChIKey: XLLFBCXIFXNWDP-UXBLZVDNSA-N
• XLogP: 5.41
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide?

The IUPAC name of N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide (CID 177345961) is N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide.

What is the SMILES notation for N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide?

The canonical SMILES for N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide is COc1ccc(NC=O)c(C2CC2c2ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c2)c1.

What is the InChIKey of N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide?

The InChIKey is XLLFBCXIFXNWDP-UXBLZVDNSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-37-24-8-11-29(32-20-36)28(17-24)27-18-26(27)23-7-9-25-30(33-34-31(25)16-23)10-6-21-2-4-22(5-3-21)19-35-12-14-38-15-13-35/h2-11,16-17,20,26-27H,12-15,18-19H2,1H3,(H,32,36)(H,33,34)/b10-6+.

What are the key properties of N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide?

N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide has a molecular weight of 508.62 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-2-[2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]cyclopropyl]phenyl]formamide is sourced from PubChem (CID 177345961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).