N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

C24H23ClN4O2 — CID 45167024

IUPACN-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCC2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1
InChIInChI=1S/C24H23ClN4O2/c1-15-5-8-29(28-15)9-6-23(30)27-14-20-12-18-11-19(25)13-21(24(18)31-20)16-2-3-22-17(10-16)4-7-26-22/h2-5,7-8,10-11,13,20,26H,6,9,12,14H2,1H3,(H,27,30)
InChIKeyIGJAWZGOFYELDC-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.50
Rot. Bonds6

About N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 45167024) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID45167024
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCC2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1
InChIInChI=1S/C24H23ClN4O2/c1-15-5-8-29(28-15)9-6-23(30)27-14-20-12-18-11-19(25)13-21(24(18)31-20)16-2-3-22-17(10-16)4-7-26-22/h2-5,7-8,10-11,13,20,26H,6,9,12,14H2,1H3,(H,27,30)
InChIKeyIGJAWZGOFYELDC-UHFFFAOYSA-N
XLogP4.50
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 45167024) is N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCC2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1.
What is the InChIKey of N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is IGJAWZGOFYELDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15-5-8-29(28-15)9-6-23(30)27-14-20-12-18-11-19(25)13-21(24(18)31-20)16-2-3-22-17(10-16)4-7-26-22/h2-5,7-8,10-11,13,20,26H,6,9,12,14H2,1H3,(H,27,30).
What are the key properties of N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 434.93 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45167024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).