5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine

C26H29ClFN3O4 — CID 22147275

IUPAC5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine
SMILESCOCc1nc(-c2ccc(OC)cc2Cl)c(COC)nc1NC1c2ccccc2CC1OCCF
InChIInChI=1S/C26H29ClFN3O4/c1-32-14-21-24(19-9-8-17(34-3)13-20(19)27)29-22(15-33-2)26(30-21)31-25-18-7-5-4-6-16(18)12-23(25)35-11-10-28/h4-9,13,23,25H,10-12,14-15H2,1-3H3,(H,30,31)
InChIKeyLCUNLZUTNIYUDC-UHFFFAOYSA-N
MW501.99 g/mol
LogP5.16
Rot. Bonds11

About 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine

5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine (PubChem CID 22147275) has the molecular formula C26H29ClFN3O4 and a molecular weight of 501.99 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine
PubChem CID22147275
Molecular FormulaC26H29ClFN3O4
Molecular Weight501.99 g/mol
Exact Mass501.18
IUPAC Name5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine
SMILESCOCc1nc(-c2ccc(OC)cc2Cl)c(COC)nc1NC1c2ccccc2CC1OCCF
InChIInChI=1S/C26H29ClFN3O4/c1-32-14-21-24(19-9-8-17(34-3)13-20(19)27)29-22(15-33-2)26(30-21)31-25-18-7-5-4-6-16(18)12-23(25)35-11-10-28/h4-9,13,23,25H,10-12,14-15H2,1-3H3,(H,30,31)
InChIKeyLCUNLZUTNIYUDC-UHFFFAOYSA-N
XLogP5.16
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.99
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine (CID 22147275) is 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine is COCc1nc(-c2ccc(OC)cc2Cl)c(COC)nc1NC1c2ccccc2CC1OCCF.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine?
The InChIKey is LCUNLZUTNIYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN3O4/c1-32-14-21-24(19-9-8-17(34-3)13-20(19)27)29-22(15-33-2)26(30-21)31-25-18-7-5-4-6-16(18)12-23(25)35-11-10-28/h4-9,13,23,25H,10-12,14-15H2,1-3H3,(H,30,31).
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine?
5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine has a molecular weight of 501.99 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-N-[2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-3,6-bis(methoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 22147275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).