(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine

C19H19ClFN3 — CID 130341095

IUPAC(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine
SMILESCNC/C=C(\F)Cn1c(C)c(-c2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClFN3/c1-13-19(14-4-3-8-23-11-14)17-10-15(20)5-6-18(17)24(13)12-16(21)7-9-22-2/h3-8,10-11,22H,9,12H2,1-2H3/b16-7-
InChIKeyOKSIGJISYWYSKP-APSNUPSMSA-N
MW343.83 g/mol
LogP4.74
Rot. Bonds5

About (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine

(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine (PubChem CID 130341095) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine
PubChem CID130341095
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine
SMILESCNC/C=C(\F)Cn1c(C)c(-c2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClFN3/c1-13-19(14-4-3-8-23-11-14)17-10-15(20)5-6-18(17)24(13)12-16(21)7-9-22-2/h3-8,10-11,22H,9,12H2,1-2H3/b16-7-
InChIKeyOKSIGJISYWYSKP-APSNUPSMSA-N
XLogP4.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine (CID 130341095) is (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine is CNC/C=C(\F)Cn1c(C)c(-c2cccnc2)c2cc(Cl)ccc21.
What is the InChIKey of (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine?
The InChIKey is OKSIGJISYWYSKP-APSNUPSMSA-N. The full InChI is InChI=1S/C19H19ClFN3/c1-13-19(14-4-3-8-23-11-14)17-10-15(20)5-6-18(17)24(13)12-16(21)7-9-22-2/h3-8,10-11,22H,9,12H2,1-2H3/b16-7-.
What are the key properties of (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine?
(Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine has a molecular weight of 343.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-chloro-2-methyl-3-pyridin-3-ylindol-1-yl)-3-fluoro-N-methylbut-2-en-1-amine is sourced from PubChem (CID 130341095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).