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

C24H25Cl2FN4O — CID 58583471

IUPAC5-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ncc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C24H25Cl2FN4O/c1-3-18-23(22-17(26)12-15(25)13-28-22)29-19(4-2)24(30-18)31-21-16-8-6-5-7-14(16)11-20(21)32-10-9-27/h5-8,12-13,20-21H,3-4,9-11H2,1-2H3,(H,30,31)/t20-,21+/m0/s1
InChIKeyATWPRIFWTCHKMB-LEWJYISDSA-N
MW475.40 g/mol
LogP6.03
Rot. Bonds8

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

5-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 58583471) has the molecular formula C24H25Cl2FN4O and a molecular weight of 475.40 g/mol. Its IUPAC name is 5-(3,5-dichloro-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-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID58583471
Molecular FormulaC24H25Cl2FN4O
Molecular Weight475.40 g/mol
Exact Mass474.14
IUPAC Name5-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ncc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C24H25Cl2FN4O/c1-3-18-23(22-17(26)12-15(25)13-28-22)29-19(4-2)24(30-18)31-21-16-8-6-5-7-14(16)11-20(21)32-10-9-27/h5-8,12-13,20-21H,3-4,9-11H2,1-2H3,(H,30,31)/t20-,21+/m0/s1
InChIKeyATWPRIFWTCHKMB-LEWJYISDSA-N
XLogP6.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichloro-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-(3,5-dichloro-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-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 58583471) is 5-(3,5-dichloro-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-(3,5-dichloro-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-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCc1nc(-c2ncc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF.
What is the InChIKey of 5-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is ATWPRIFWTCHKMB-LEWJYISDSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O/c1-3-18-23(22-17(26)12-15(25)13-28-22)29-19(4-2)24(30-18)31-21-16-8-6-5-7-14(16)11-20(21)32-10-9-27/h5-8,12-13,20-21H,3-4,9-11H2,1-2H3,(H,30,31)/t20-,21+/m0/s1.
What are the key properties of 5-(3,5-dichloro-2-pyridinyl)-3,6-diethyl-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-(3,5-dichloro-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 475.40 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-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 58583471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).