7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide

C26H31FN4O3 — CID 91191099

IUPAC7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCC(O)CN1CCCCC1)CCC=C2c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C26H31FN4O3/c1-15-22(25(33)28-13-17(32)14-31-10-3-2-4-11-31)18-6-5-7-19(24(18)29-15)23-20-12-16(27)8-9-21(20)30-26(23)34/h7-9,12,17,29-30,32,34H,2-6,10-11,13-14H2,1H3,(H,28,33)
InChIKeyWYJLTZGTBJNKDI-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.60
Rot. Bonds6

About 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide

7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (PubChem CID 91191099) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
PubChem CID91191099
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCC(O)CN1CCCCC1)CCC=C2c1c(O)[nH]c2ccc(F)cc12
InChIInChI=1S/C26H31FN4O3/c1-15-22(25(33)28-13-17(32)14-31-10-3-2-4-11-31)18-6-5-7-19(24(18)29-15)23-20-12-16(27)8-9-21(20)30-26(23)34/h7-9,12,17,29-30,32,34H,2-6,10-11,13-14H2,1H3,(H,28,33)
InChIKeyWYJLTZGTBJNKDI-UHFFFAOYSA-N
XLogP3.60
TPSA104.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide
CID 90745909
2-formyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-5-methyl-1H-pyrrole-3-carboxamide
CID 91556839
ethyl 6-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)-2-methyl-1,4-dihydrocyclopenta[b]pyrrole-3-carboxylate
CID 91271053
7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
CID 74372966
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-7-(2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 74372968
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 10225366
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 87930355
N-[3-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-hydroxypropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 69070088
N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625213
N-[3-(dimethylamino)-2-hydroxypropyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
CID 74373175
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The IUPAC name of 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (CID 91191099) is 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCC(O)CN1CCCCC1)CCC=C2c1c(O)[nH]c2ccc(F)cc12.
What is the InChIKey of 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The InChIKey is WYJLTZGTBJNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-15-22(25(33)28-13-17(32)14-31-10-3-2-4-11-31)18-6-5-7-19(24(18)29-15)23-20-12-16(27)8-9-21(20)30-26(23)34/h7-9,12,17,29-30,32,34H,2-6,10-11,13-14H2,1H3,(H,28,33).
What are the key properties of 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-hydroxy-1H-indol-3-yl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 91191099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).