2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine

C24H27N7 — CID 170364241

IUPAC2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(-c4ccc(C)cc4)c3)c2nc1NC1CCCC1
InChIInChI=1S/C24H27N7/c1-3-20-24(28-17-6-4-5-7-17)30-21-19(13-26-23(25)22(21)29-20)16-12-27-31(14-16)18-10-8-15(2)9-11-18/h8-14,17H,3-7H2,1-2H3,(H2,25,26)(H,28,30)
InChIKeyCHXXVABAIHZZSM-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.69
Rot. Bonds5

About 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine

2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 170364241) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID170364241
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(-c4ccc(C)cc4)c3)c2nc1NC1CCCC1
InChIInChI=1S/C24H27N7/c1-3-20-24(28-17-6-4-5-7-17)30-21-19(13-26-23(25)22(21)29-20)16-12-27-31(14-16)18-10-8-15(2)9-11-18/h8-14,17H,3-7H2,1-2H3,(H2,25,26)(H,28,30)
InChIKeyCHXXVABAIHZZSM-UHFFFAOYSA-N
XLogP4.69
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine (CID 170364241) is 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine is CCc1nc2c(N)ncc(-c3cnn(-c4ccc(C)cc4)c3)c2nc1NC1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is CHXXVABAIHZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-3-20-24(28-17-6-4-5-7-17)30-21-19(13-26-23(25)22(21)29-20)16-12-27-31(14-16)18-10-8-15(2)9-11-18/h8-14,17H,3-7H2,1-2H3,(H2,25,26)(H,28,30).
What are the key properties of 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 170364241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).