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

C25H30N8 — CID 170364782

IUPAC2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(-c4ccc(C(C)C)cn4)c3)c2nc1NC1CCCC1
InChIInChI=1S/C25H30N8/c1-4-20-25(30-18-7-5-6-8-18)32-22-19(13-28-24(26)23(22)31-20)17-12-29-33(14-17)21-10-9-16(11-27-21)15(2)3/h9-15,18H,4-8H2,1-3H3,(H2,26,28)(H,30,32)
InChIKeySZDFADREIAMIAP-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.89
Rot. Bonds6

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

2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 170364782) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID170364782
Molecular FormulaC25H30N8
Molecular Weight442.57 g/mol
Exact Mass442.26
IUPAC Name2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(-c4ccc(C(C)C)cn4)c3)c2nc1NC1CCCC1
InChIInChI=1S/C25H30N8/c1-4-20-25(30-18-7-5-6-8-18)32-22-19(13-28-24(26)23(22)31-20)17-12-29-33(14-17)21-10-9-16(11-27-21)15(2)3/h9-15,18H,4-8H2,1-3H3,(H2,26,28)(H,30,32)
InChIKeySZDFADREIAMIAP-UHFFFAOYSA-N
XLogP4.89
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 170364241
5-[4-[5-amino-3-ethyl-2-[[(1R,3S)-3-hydroxycyclopentyl]amino]pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]pyrimidine-2-carbonitrile
CID 169303632
3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303809
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303874
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303637
3-ethyl-8-[1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-4-yl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303983
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303894
8-[1-(1-butan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-ethyl-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303750
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303793
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303965
cis-(1S,3R)-3-[[5-amino-8-[1-[4,4-bis(ethoxymethyl)cyclohexyl]pyrazol-4-yl]-3-ethylpyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303989
4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol
CID 169303628

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine (CID 170364782) is 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine is CCc1nc2c(N)ncc(-c3cnn(-c4ccc(C(C)C)cn4)c3)c2nc1NC1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is SZDFADREIAMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8/c1-4-20-25(30-18-7-5-6-8-18)32-22-19(13-28-24(26)23(22)31-20)17-12-29-33(14-17)21-10-9-16(11-27-21)15(2)3/h9-15,18H,4-8H2,1-3H3,(H2,26,28)(H,30,32).
What are the key properties of 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 442.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-3-ethyl-8-[1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 170364782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).