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

C25H29FN4O2 — CID 90745909

IUPAC7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCCN1CCCC1)CCC=C2c1c(O)[nH]c2c(F)cccc12
InChIInChI=1S/C25H29FN4O2/c1-15-20(24(31)27-11-6-14-30-12-2-3-13-30)16-7-4-8-17(22(16)28-15)21-18-9-5-10-19(26)23(18)29-25(21)32/h5,8-10,28-29,32H,2-4,6-7,11-14H2,1H3,(H,27,31)
InChIKeyIWXVIPGWXWCOGE-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.24
Rot. Bonds6

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

7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide (PubChem CID 90745909) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide
PubChem CID90745909
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCCN1CCCC1)CCC=C2c1c(O)[nH]c2c(F)cccc12
InChIInChI=1S/C25H29FN4O2/c1-15-20(24(31)27-11-6-14-30-12-2-3-13-30)16-7-4-8-17(22(16)28-15)21-18-9-5-10-19(26)23(18)29-25(21)32/h5,8-10,28-29,32H,2-4,6-7,11-14H2,1H3,(H,27,31)
InChIKeyIWXVIPGWXWCOGE-UHFFFAOYSA-N
XLogP4.24
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 59376033
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
ethane;2-[(Z)-[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 142153465
N-[(2,6-difluorophenyl)methyl]-2-methyl-6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxamide
CID 21051548
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 59376071
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656

Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide?
The IUPAC name of 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) is 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCCN1CCCC1)CCC=C2c1c(O)[nH]c2c(F)cccc12.
What is the InChIKey of 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide?
The InChIKey is IWXVIPGWXWCOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-15-20(24(31)27-11-6-14-30-12-2-3-13-30)16-7-4-8-17(22(16)28-15)21-18-9-5-10-19(26)23(18)29-25(21)32/h5,8-10,28-29,32H,2-4,6-7,11-14H2,1H3,(H,27,31).
What are the key properties of 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide?
7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 90745909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).