1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide

C14H10ClFN4O2 — CID 139408179

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(N)=O)cn2-c1nc(Cl)ncc1F
InChIInChI=1S/C14H10ClFN4O2/c1-22-7-2-3-11-8(4-7)9(12(17)21)6-20(11)13-10(16)5-18-14(15)19-13/h2-6H,1H3,(H2,17,21)
InChIKeyYHNCRAYZWQKWNI-UHFFFAOYSA-N
MW320.71 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide

1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide (PubChem CID 139408179) has the molecular formula C14H10ClFN4O2 and a molecular weight of 320.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide
PubChem CID139408179
Molecular FormulaC14H10ClFN4O2
Molecular Weight320.71 g/mol
Exact Mass320.05
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(N)=O)cn2-c1nc(Cl)ncc1F
InChIInChI=1S/C14H10ClFN4O2/c1-22-7-2-3-11-8(4-7)9(12(17)21)6-20(11)13-10(16)5-18-14(15)19-13/h2-6H,1H3,(H2,17,21)
InChIKeyYHNCRAYZWQKWNI-UHFFFAOYSA-N
XLogP2.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-carbamoyl-5-methoxyindol-1-yl) 2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 90946247
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate
CID 56690006
ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate
CID 10356712
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
1,5-dimethylindole-3-carboxamide
CID 119084556
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
5-chloro-4-[5-chloro-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 135357061

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide (CID 139408179) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide is COc1ccc2c(c1)c(C(N)=O)cn2-c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide?
The InChIKey is YHNCRAYZWQKWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2/c1-22-7-2-3-11-8(4-7)9(12(17)21)6-20(11)13-10(16)5-18-14(15)19-13/h2-6H,1H3,(H2,17,21).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide has a molecular weight of 320.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 139408179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).