N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C35H35ClFN5O2 — CID 57288805

IUPACN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C35H35ClFN5O2/c1-23(43)42(20-25-6-2-4-8-32(25)36)21-28(16-26-18-38-33-9-5-3-7-29(26)33)40-35(44)22-41-14-12-24(13-15-41)31-19-39-34-11-10-27(37)17-30(31)34/h2-12,17-19,28,38-39H,13-16,20-22H2,1H3,(H,40,44)
InChIKeyLHRZAWMHTJEXTP-UHFFFAOYSA-N
MW612.15 g/mol
LogP6.31
Rot. Bonds10

About N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 57288805) has the molecular formula C35H35ClFN5O2 and a molecular weight of 612.15 g/mol. Its IUPAC name is N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID57288805
Molecular FormulaC35H35ClFN5O2
Molecular Weight612.15 g/mol
Exact Mass611.25
IUPAC NameN-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C35H35ClFN5O2/c1-23(43)42(20-25-6-2-4-8-32(25)36)21-28(16-26-18-38-33-9-5-3-7-29(26)33)40-35(44)22-41-14-12-24(13-15-41)31-19-39-34-11-10-27(37)17-30(31)34/h2-12,17-19,28,38-39H,13-16,20-22H2,1H3,(H,40,44)
InChIKeyLHRZAWMHTJEXTP-UHFFFAOYSA-N
XLogP6.31
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.15
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide with MolForge

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Related Compounds

c[L-Phe-D-pro-L-Phe-L-trp]
CID 44583372
Cyclo-(L-Trp-L-Trp)
CID 7091706
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
6-[(8-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 11606144
AwFwLL-NH2
CID 44576252
Rwj-56110
CID 9853822
wFwLL-NH2
CID 10190715
KwFwLL-NH2
CID 44576247
QwFwLL-NH2
CID 44576253
c[L-Phe-D-pro-L-Phe-D-trp]
CID 44583373
3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 3837569
RwFwLL-NH2
CID 44576248

Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 57288805) is N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CC(=O)N(Cc1ccccc1Cl)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is LHRZAWMHTJEXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClFN5O2/c1-23(43)42(20-25-6-2-4-8-32(25)36)21-28(16-26-18-38-33-9-5-3-7-29(26)33)40-35(44)22-41-14-12-24(13-15-41)31-19-39-34-11-10-27(37)17-30(31)34/h2-12,17-19,28,38-39H,13-16,20-22H2,1H3,(H,40,44).
What are the key properties of N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 612.15 g/mol, XLogP of 6.31, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 57288805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).