3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine

C23H26N4O — CID 22278807

IUPAC3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine
SMILESCCc1nc(-c2cc3c(cc2OC)CCC3)c(CC)nc1Nc1ccccn1
InChIInChI=1S/C23H26N4O/c1-4-18-22(17-13-15-9-8-10-16(15)14-20(17)28-3)25-19(5-2)23(26-18)27-21-11-6-7-12-24-21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,24,26,27)
InChIKeyPKWIDZBERLFTOK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.90
Rot. Bonds6

About 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine

3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine (PubChem CID 22278807) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine
PubChem CID22278807
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine
SMILESCCc1nc(-c2cc3c(cc2OC)CCC3)c(CC)nc1Nc1ccccn1
InChIInChI=1S/C23H26N4O/c1-4-18-22(17-13-15-9-8-10-16(15)14-20(17)28-3)25-19(5-2)23(26-18)27-21-11-6-7-12-24-21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,24,26,27)
InChIKeyPKWIDZBERLFTOK-UHFFFAOYSA-N
XLogP4.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine (CID 22278807) is 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine is CCc1nc(-c2cc3c(cc2OC)CCC3)c(CC)nc1Nc1ccccn1.
What is the InChIKey of 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine?
The InChIKey is PKWIDZBERLFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-18-22(17-13-15-9-8-10-16(15)14-20(17)28-3)25-19(5-2)23(26-18)27-21-11-6-7-12-24-21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,24,26,27).
What are the key properties of 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine?
3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 22278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).