5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

C25H28ClFN4O2 — CID 58583456

IUPAC5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ncc(OC)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C25H28ClFN4O2/c1-4-19-24(23-18(26)13-16(32-3)14-28-23)29-20(5-2)25(30-19)31-22-17-9-7-6-8-15(17)12-21(22)33-11-10-27/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,31)/t21-,22+/m0/s1
InChIKeyROSJUKXHJHVDLM-FCHUYYIVSA-N
MW470.98 g/mol
LogP5.39
Rot. Bonds9

About 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 58583456) has the molecular formula C25H28ClFN4O2 and a molecular weight of 470.98 g/mol. Its IUPAC name is 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID58583456
Molecular FormulaC25H28ClFN4O2
Molecular Weight470.98 g/mol
Exact Mass470.19
IUPAC Name5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ncc(OC)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C25H28ClFN4O2/c1-4-19-24(23-18(26)13-16(32-3)14-28-23)29-20(5-2)25(30-19)31-22-17-9-7-6-8-15(17)12-21(22)33-11-10-27/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,31)/t21-,22+/m0/s1
InChIKeyROSJUKXHJHVDLM-FCHUYYIVSA-N
XLogP5.39
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.98
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 58583456) is 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCc1nc(-c2ncc(OC)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF.
What is the InChIKey of 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is ROSJUKXHJHVDLM-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H28ClFN4O2/c1-4-19-24(23-18(26)13-16(32-3)14-28-23)29-20(5-2)25(30-19)31-22-17-9-7-6-8-15(17)12-21(22)33-11-10-27/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,31)/t21-,22+/m0/s1.
What are the key properties of 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 470.98 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methoxy-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 58583456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).