[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone

C14H17FN4O — CID 166251917

IUPAC[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc12
InChIInChI=1S/C14H17FN4O/c1-7-2-3-9(15)13-8(7)4-12(18-13)14(20)19-5-10(16)11(17)6-19/h2-4,10-11,18H,5-6,16-17H2,1H3/t10-,11-/m1/s1
InChIKeyIJTLPRZDTMHLLE-GHMZBOCLSA-N
MW276.31 g/mol
LogP0.73
Rot. Bonds1

About [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone

[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone (PubChem CID 166251917) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
PubChem CID166251917
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc12
InChIInChI=1S/C14H17FN4O/c1-7-2-3-9(15)13-8(7)4-12(18-13)14(20)19-5-10(16)11(17)6-19/h2-4,10-11,18H,5-6,16-17H2,1H3/t10-,11-/m1/s1
InChIKeyIJTLPRZDTMHLLE-GHMZBOCLSA-N
XLogP0.73
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166205131
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 166320882
N-[[1-(7-fluoro-4-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]furan-3-carboxamide
CID 166290871
(7-fluoro-4-methoxy-1H-indol-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 136538978
(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10131823
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 138381000
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 166203080
7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide
CID 166424614
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 139007473

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone (CID 166251917) is [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone is Cc1ccc(F)c2[nH]c(C(=O)N3C[C@@H](N)[C@H](N)C3)cc12.
What is the InChIKey of [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone?
The InChIKey is IJTLPRZDTMHLLE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-7-2-3-9(15)13-8(7)4-12(18-13)14(20)19-5-10(16)11(17)6-19/h2-4,10-11,18H,5-6,16-17H2,1H3/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone?
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone has a molecular weight of 276.31 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 166251917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).