4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide

C18H19FN6O — CID 167758372

IUPAC4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide
SMILESCc1cc(F)c2cc(C(=O)Nc3cnc(N4CCNCC4)nc3)[nH]c2c1
InChIInChI=1S/C18H19FN6O/c1-11-6-14(19)13-8-16(24-15(13)7-11)17(26)23-12-9-21-18(22-10-12)25-4-2-20-3-5-25/h6-10,20,24H,2-5H2,1H3,(H,23,26)
InChIKeyGYRBAPLCIIDJJY-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.07
Rot. Bonds3

About 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide

4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide (PubChem CID 167758372) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide
PubChem CID167758372
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide
SMILESCc1cc(F)c2cc(C(=O)Nc3cnc(N4CCNCC4)nc3)[nH]c2c1
InChIInChI=1S/C18H19FN6O/c1-11-6-14(19)13-8-16(24-15(13)7-11)17(26)23-12-9-21-18(22-10-12)25-4-2-20-3-5-25/h6-10,20,24H,2-5H2,1H3,(H,23,26)
InChIKeyGYRBAPLCIIDJJY-UHFFFAOYSA-N
XLogP2.07
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 167808805
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
7-tert-butyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167869599
ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
CID 128764131
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide (CID 167758372) is 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide is Cc1cc(F)c2cc(C(=O)Nc3cnc(N4CCNCC4)nc3)[nH]c2c1.
What is the InChIKey of 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide?
The InChIKey is GYRBAPLCIIDJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-11-6-14(19)13-8-16(24-15(13)7-11)17(26)23-12-9-21-18(22-10-12)25-4-2-20-3-5-25/h6-10,20,24H,2-5H2,1H3,(H,23,26).
What are the key properties of 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide?
4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167758372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).