2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile

C22H15Cl2N5O3 — CID 155268279

IUPAC2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(CC5CC5)c4c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H15Cl2N5O3/c23-16-6-13(29-22(31)27-21(30)19(9-25)28-29)7-17(24)20(16)32-14-3-4-18-15(8-14)12(10-26-18)5-11-1-2-11/h3-4,6-8,10-11,26H,1-2,5H2,(H,27,30,31)
InChIKeyIMDZFYZTWIDYFZ-UHFFFAOYSA-N
MW468.30 g/mol
LogP4.33
Rot. Bonds5

About 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile

2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (PubChem CID 155268279) has the molecular formula C22H15Cl2N5O3 and a molecular weight of 468.30 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
PubChem CID155268279
Molecular FormulaC22H15Cl2N5O3
Molecular Weight468.30 g/mol
Exact Mass467.06
IUPAC Name2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(CC5CC5)c4c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H15Cl2N5O3/c23-16-6-13(29-22(31)27-21(30)19(9-25)28-29)7-17(24)20(16)32-14-3-4-18-15(8-14)12(10-26-18)5-11-1-2-11/h3-4,6-8,10-11,26H,1-2,5H2,(H,27,30,31)
InChIKeyIMDZFYZTWIDYFZ-UHFFFAOYSA-N
XLogP4.33
TPSA116.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (CID 155268279) is 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is N#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(CC5CC5)c4c3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is IMDZFYZTWIDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O3/c23-16-6-13(29-22(31)27-21(30)19(9-25)28-29)7-17(24)20(16)32-14-3-4-18-15(8-14)12(10-26-18)5-11-1-2-11/h3-4,6-8,10-11,26H,1-2,5H2,(H,27,30,31).
What are the key properties of 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 468.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 155268279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).