5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide

C24H24ClN3O4 — CID 11510762

IUPAC5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H24ClN3O4/c25-16-5-6-18-15(7-16)10-20(26-18)23(31)27-19-9-14-4-2-1-3-13(14)8-17(19)24(32)28-11-21(29)22(30)12-28/h1-7,10,17,19,21-22,26,29-30H,8-9,11-12H2,(H,27,31)/t17-,19?,21-,22+/m1/s1
InChIKeyWXTZIHYYSLDOIY-VXRQHQKFSA-N
MW453.93 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide (PubChem CID 11510762) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
PubChem CID11510762
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Name5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H24ClN3O4/c25-16-5-6-18-15(7-16)10-20(26-18)23(31)27-19-9-14-4-2-1-3-13(14)8-17(19)24(32)28-11-21(29)22(30)12-28/h1-7,10,17,19,21-22,26,29-30H,8-9,11-12H2,(H,27,31)/t17-,19?,21-,22+/m1/s1
InChIKeyWXTZIHYYSLDOIY-VXRQHQKFSA-N
XLogP1.90
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
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N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[(3R)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 56993696
N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 143006254
5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
CID 169419552
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
N-[8-(2-amino-2-oxoethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-5-chloro-1H-indole-2-carboxamide
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CID 11213659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide (CID 11510762) is 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?
The InChIKey is WXTZIHYYSLDOIY-VXRQHQKFSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c25-16-5-6-18-15(7-16)10-20(26-18)23(31)27-19-9-14-4-2-1-3-13(14)8-17(19)24(32)28-11-21(29)22(30)12-28/h1-7,10,17,19,21-22,26,29-30H,8-9,11-12H2,(H,27,31)/t17-,19?,21-,22+/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).