3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C50H54Cl2F2N6O4 — CID 160521794

IUPAC3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2.NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)CC1CC1)CO2
InChIInChI=1S/2C25H27ClFN3O2/c26-21-8-2-7-18-15(13-29-23(18)21)4-3-11-30(16-5-1-6-16)17-12-20-19(25(28)31)9-10-22(27)24(20)32-14-17;26-21-5-1-4-18-16(12-29-23(18)21)3-2-10-30(13-15-6-7-15)17-11-20-19(25(28)31)8-9-22(27)24(20)32-14-17/h2,7-10,13,16-17,29H,1,3-6,11-12,14H2,(H2,28,31);1,4-5,8-9,12,15,17,29H,2-3,6-7,10-11,13-14H2,(H2,28,31)
InChIKeyQUJHLYLGKRBCFB-UHFFFAOYSA-N
MW911.92 g/mol
LogP9.56
Rot. Bonds15

About 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 160521794) has the molecular formula C50H54Cl2F2N6O4 and a molecular weight of 911.92 g/mol. Its IUPAC name is 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID160521794
Molecular FormulaC50H54Cl2F2N6O4
Molecular Weight911.92 g/mol
Exact Mass910.36
IUPAC Name3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2.NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)CC1CC1)CO2
InChIInChI=1S/2C25H27ClFN3O2/c26-21-8-2-7-18-15(13-29-23(18)21)4-3-11-30(16-5-1-6-16)17-12-20-19(25(28)31)9-10-22(27)24(20)32-14-17;26-21-5-1-4-18-16(12-29-23(18)21)3-2-10-30(13-15-6-7-15)17-11-20-19(25(28)31)8-9-22(27)24(20)32-14-17/h2,7-10,13,16-17,29H,1,3-6,11-12,14H2,(H2,28,31);1,4-5,8-9,12,15,17,29H,2-3,6-7,10-11,13-14H2,(H2,28,31)
InChIKeyQUJHLYLGKRBCFB-UHFFFAOYSA-N
XLogP9.56
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.92
LogP ≤ 59.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-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 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 160521794) is 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)C1CCC1)CO2.NC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3c(Cl)cccc13)CC1CC1)CO2.
What is the InChIKey of 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is QUJHLYLGKRBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27ClFN3O2/c26-21-8-2-7-18-15(13-29-23(18)21)4-3-11-30(16-5-1-6-16)17-12-20-19(25(28)31)9-10-22(27)24(20)32-14-17;26-21-5-1-4-18-16(12-29-23(18)21)3-2-10-30(13-15-6-7-15)17-11-20-19(25(28)31)8-9-22(27)24(20)32-14-17/h2,7-10,13,16-17,29H,1,3-6,11-12,14H2,(H2,28,31);1,4-5,8-9,12,15,17,29H,2-3,6-7,10-11,13-14H2,(H2,28,31).
What are the key properties of 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 911.92 g/mol, XLogP of 9.56, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-chloro-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;3-[3-(7-chloro-1H-indol-3-yl)propyl-(cyclopropylmethyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 160521794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).