2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

C25H23ClFN3O3 — CID 142699077

IUPAC2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESC[C@@H](C(=O)Nc1c[nH]c2ccccc12)[C@H]1CCCc2c1n(CC(=O)O)c1c(Cl)cc(F)cc21
InChIInChI=1S/C25H23ClFN3O3/c1-13(25(33)29-21-11-28-20-8-3-2-5-17(20)21)15-6-4-7-16-18-9-14(27)10-19(26)24(18)30(23(15)16)12-22(31)32/h2-3,5,8-11,13,15,28H,4,6-7,12H2,1H3,(H,29,33)(H,31,32)/t13-,15-/m1/s1
InChIKeyCIEJQZHRYCJMEU-UKRRQHHQSA-N
MW467.93 g/mol
LogP5.69
Rot. Bonds5

About 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (PubChem CID 142699077) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
PubChem CID142699077
Molecular FormulaC25H23ClFN3O3
Molecular Weight467.93 g/mol
Exact Mass467.14
IUPAC Name2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESC[C@@H](C(=O)Nc1c[nH]c2ccccc12)[C@H]1CCCc2c1n(CC(=O)O)c1c(Cl)cc(F)cc21
InChIInChI=1S/C25H23ClFN3O3/c1-13(25(33)29-21-11-28-20-8-3-2-5-17(20)21)15-6-4-7-16-18-9-14(27)10-19(26)24(18)30(23(15)16)12-22(31)32/h2-3,5,8-11,13,15,28H,4,6-7,12H2,1H3,(H,29,33)(H,31,32)/t13-,15-/m1/s1
InChIKeyCIEJQZHRYCJMEU-UKRRQHHQSA-N
XLogP5.69
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(1S)-8-chloro-6-fluoro-1-[(2S)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 142699082
N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide
CID 67700597
2-[8-chloro-6-fluoro-3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812069
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
CID 7615898
2-[8-chloro-6-fluoro-3-[3-(2-methoxyphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811744
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
2-[(1R)-9-benzyl-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11581192
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
CID 7615872
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The IUPAC name of 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (CID 142699077) is 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The canonical SMILES for 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is C[C@@H](C(=O)Nc1c[nH]c2ccccc12)[C@H]1CCCc2c1n(CC(=O)O)c1c(Cl)cc(F)cc21.
What is the InChIKey of 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The InChIKey is CIEJQZHRYCJMEU-UKRRQHHQSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-13(25(33)29-21-11-28-20-8-3-2-5-17(20)21)15-6-4-7-16-18-9-14(27)10-19(26)24(18)30(23(15)16)12-22(31)32/h2-3,5,8-11,13,15,28H,4,6-7,12H2,1H3,(H,29,33)(H,31,32)/t13-,15-/m1/s1.
What are the key properties of 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid has a molecular weight of 467.93 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-8-chloro-6-fluoro-1-[(2R)-1-(1H-indol-3-ylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is sourced from PubChem (CID 142699077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).