(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine

C25H24Cl2N4 — CID 59083190

IUPAC(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1C1CC1
InChIInChI=1S/C25H24Cl2N4/c26-16-9-10-18(19(27)12-16)24-21(13-5-6-13)30-25(22(29-24)14-7-8-14)31-23-17-4-2-1-3-15(17)11-20(23)28/h1-4,9-10,12-14,20,23H,5-8,11,28H2,(H,30,31)/t20-,23?/m1/s1
InChIKeySXJQNKFEJNXURE-PPUHSXQSSA-N
MW451.40 g/mol
LogP6.24
Rot. Bonds5

About (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine

(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 59083190) has the molecular formula C25H24Cl2N4 and a molecular weight of 451.40 g/mol. Its IUPAC name is (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID59083190
Molecular FormulaC25H24Cl2N4
Molecular Weight451.40 g/mol
Exact Mass450.14
IUPAC Name(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1C1CC1
InChIInChI=1S/C25H24Cl2N4/c26-16-9-10-18(19(27)12-16)24-21(13-5-6-13)30-25(22(29-24)14-7-8-14)31-23-17-4-2-1-3-15(17)11-20(23)28/h1-4,9-10,12-14,20,23H,5-8,11,28H2,(H,30,31)/t20-,23?/m1/s1
InChIKeySXJQNKFEJNXURE-PPUHSXQSSA-N
XLogP6.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine (CID 59083190) is (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine is N[C@@H]1Cc2ccccc2C1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1C1CC1.
What is the InChIKey of (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is SXJQNKFEJNXURE-PPUHSXQSSA-N. The full InChI is InChI=1S/C25H24Cl2N4/c26-16-9-10-18(19(27)12-16)24-21(13-5-6-13)30-25(22(29-24)14-7-8-14)31-23-17-4-2-1-3-15(17)11-20(23)28/h1-4,9-10,12-14,20,23H,5-8,11,28H2,(H,30,31)/t20-,23?/m1/s1.
What are the key properties of (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
(2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 451.40 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[3,6-dicyclopropyl-5-(2,4-dichlorophenyl)pyrazin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 59083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).