3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide

C28H20N8O — CID 154658298

IUPAC3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2nc(N)c(C(=O)NC3(c4cnccn4)CC3)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C28H20N8O/c29-15-17-3-1-4-19(13-17)24-23(20-6-7-21-18(14-20)5-2-10-32-21)34-25(26(30)35-24)27(37)36-28(8-9-28)22-16-31-11-12-33-22/h1-7,10-14,16H,8-9H2,(H2,30,35)(H,36,37)
InChIKeyMCKQUEMEOZIETK-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.02
Rot. Bonds5

About 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658298) has the molecular formula C28H20N8O and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154658298
Molecular FormulaC28H20N8O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC Name3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2nc(N)c(C(=O)NC3(c4cnccn4)CC3)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C28H20N8O/c29-15-17-3-1-4-19(13-17)24-23(20-6-7-21-18(14-20)5-2-10-32-21)34-25(26(30)35-24)27(37)36-28(8-9-28)22-16-31-11-12-33-22/h1-7,10-14,16H,8-9H2,(H2,30,35)(H,36,37)
InChIKeyMCKQUEMEOZIETK-UHFFFAOYSA-N
XLogP4.02
TPSA143.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657981
3-amino-N-[1-(3-cyanophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657884
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604677
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 154658260
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657796

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658298) is 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide is N#Cc1cccc(-c2nc(N)c(C(=O)NC3(c4cnccn4)CC3)nc2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is MCKQUEMEOZIETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8O/c29-15-17-3-1-4-19(13-17)24-23(20-6-7-21-18(14-20)5-2-10-32-21)34-25(26(30)35-24)27(37)36-28(8-9-28)22-16-31-11-12-33-22/h1-7,10-14,16H,8-9H2,(H2,30,35)(H,36,37).
What are the key properties of 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).