7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide

C37H54N10O6 — CID 160589757

IUPAC7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2c(OC(C)C)cc(OCCN3CCCC3)cc2[nH]1.C/N=C(\N)NC(=O)c1cc2c(OC(C)C)ccc(OCCCN)c2[nH]1
InChIInChI=1S/C20H29N5O3.C17H25N5O3/c1-13(2)28-18-11-14(27-9-8-25-6-4-5-7-25)10-16-15(18)12-17(23-16)19(26)24-20(21)22-3;1-10(2)25-13-5-6-14(24-8-4-7-18)15-11(13)9-12(21-15)16(23)22-17(19)20-3/h10-13,23H,4-9H2,1-3H3,(H3,21,22,24,26);5-6,9-10,21H,4,7-8,18H2,1-3H3,(H3,19,20,22,23)
InChIKeyRCVWHBONCPXANI-UHFFFAOYSA-N
MW734.90 g/mol
LogP3.46
Rot. Bonds14

About 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide

7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide (PubChem CID 160589757) has the molecular formula C37H54N10O6 and a molecular weight of 734.90 g/mol. Its IUPAC name is 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
PubChem CID160589757
Molecular FormulaC37H54N10O6
Molecular Weight734.90 g/mol
Exact Mass734.42
IUPAC Name7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2c(OC(C)C)cc(OCCN3CCCC3)cc2[nH]1.C/N=C(\N)NC(=O)c1cc2c(OC(C)C)ccc(OCCCN)c2[nH]1
InChIInChI=1S/C20H29N5O3.C17H25N5O3/c1-13(2)28-18-11-14(27-9-8-25-6-4-5-7-25)10-16-15(18)12-17(23-16)19(26)24-20(21)22-3;1-10(2)25-13-5-6-14(24-8-4-7-18)15-11(13)9-12(21-15)16(23)22-17(19)20-3/h10-13,23H,4-9H2,1-3H3,(H3,21,22,24,26);5-6,9-10,21H,4,7-8,18H2,1-3H3,(H3,19,20,22,23)
InChIKeyRCVWHBONCPXANI-UHFFFAOYSA-N
XLogP3.46
TPSA232.72 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 53.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide?
The IUPAC name of 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide (CID 160589757) is 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2c(OC(C)C)cc(OCCN3CCCC3)cc2[nH]1.C/N=C(\N)NC(=O)c1cc2c(OC(C)C)ccc(OCCCN)c2[nH]1.
What is the InChIKey of 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide?
The InChIKey is RCVWHBONCPXANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3.C17H25N5O3/c1-13(2)28-18-11-14(27-9-8-25-6-4-5-7-25)10-16-15(18)12-17(23-16)19(26)24-20(21)22-3;1-10(2)25-13-5-6-14(24-8-4-7-18)15-11(13)9-12(21-15)16(23)22-17(19)20-3/h10-13,23H,4-9H2,1-3H3,(H3,21,22,24,26);5-6,9-10,21H,4,7-8,18H2,1-3H3,(H3,19,20,22,23).
What are the key properties of 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide?
7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide has a molecular weight of 734.90 g/mol, XLogP of 3.46, 14 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 160589757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).