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

C18H17ClFN3 — CID 130340808

IUPAC(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine
SMILESCc1c(-c2ccncc2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C18H17ClFN3/c1-12-18(13-5-8-22-9-6-13)16-10-14(19)2-3-17(16)23(12)11-15(20)4-7-21/h2-6,8-10H,7,11,21H2,1H3/b15-4-
InChIKeyRTJBWWUDJSWTAR-TVPGTPATSA-N
MW329.81 g/mol
LogP4.48
Rot. Bonds4

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

(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine (PubChem CID 130340808) has the molecular formula C18H17ClFN3 and a molecular weight of 329.81 g/mol. Its IUPAC name is (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine
PubChem CID130340808
Molecular FormulaC18H17ClFN3
Molecular Weight329.81 g/mol
Exact Mass329.11
IUPAC Name(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine
SMILESCc1c(-c2ccncc2)c2cc(Cl)ccc2n1C/C(F)=C/CN
InChIInChI=1S/C18H17ClFN3/c1-12-18(13-5-8-22-9-6-13)16-10-14(19)2-3-17(16)23(12)11-15(20)4-7-21/h2-6,8-10H,7,11,21H2,1H3/b15-4-
InChIKeyRTJBWWUDJSWTAR-TVPGTPATSA-N
XLogP4.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.48
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-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine (CID 130340808) is (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine is Cc1c(-c2ccncc2)c2cc(Cl)ccc2n1C/C(F)=C/CN.
What is the InChIKey of (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine?
The InChIKey is RTJBWWUDJSWTAR-TVPGTPATSA-N. The full InChI is InChI=1S/C18H17ClFN3/c1-12-18(13-5-8-22-9-6-13)16-10-14(19)2-3-17(16)23(12)11-15(20)4-7-21/h2-6,8-10H,7,11,21H2,1H3/b15-4-.
What are the key properties of (Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine?
(Z)-4-(5-chloro-2-methyl-3-pyridin-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine has a molecular weight of 329.81 g/mol, XLogP of 4.48, 4 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-4-ylindol-1-yl)-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 130340808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).