3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C28H23N7O — CID 154657820

IUPAC3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCc1cnc(C2(NC(=O)c3nc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3N)CC2)nc1
InChIInChI=1S/C28H23N7O/c1-17-15-31-27(32-16-17)28(11-12-28)35-26(36)24-25(29)34-22(18-6-3-2-4-7-18)23(33-24)20-9-10-21-19(14-20)8-5-13-30-21/h2-10,13-16H,11-12H2,1H3,(H2,29,34)(H,35,36)
InChIKeySONTVXBNENNITE-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.46
Rot. Bonds5

About 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657820) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154657820
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCc1cnc(C2(NC(=O)c3nc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3N)CC2)nc1
InChIInChI=1S/C28H23N7O/c1-17-15-31-27(32-16-17)28(11-12-28)35-26(36)24-25(29)34-22(18-6-3-2-4-7-18)23(33-24)20-9-10-21-19(14-20)8-5-13-30-21/h2-10,13-16H,11-12H2,1H3,(H2,29,34)(H,35,36)
InChIKeySONTVXBNENNITE-UHFFFAOYSA-N
XLogP4.46
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657981
3-amino-5-(3-cyanophenyl)-N-(1-pyrazin-2-ylcyclopropyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658298
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-amino-5-phenyl-N-(1-phenylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-phenylethanamine
CID 164995746
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
3-amino-N-[(3Z)-3-(methylideneamino)hexa-3,5-dien-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656358

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657820) is 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Cc1cnc(C2(NC(=O)c3nc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3N)CC2)nc1.
What is the InChIKey of 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is SONTVXBNENNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-17-15-31-27(32-16-17)28(11-12-28)35-26(36)24-25(29)34-22(18-6-3-2-4-7-18)23(33-24)20-9-10-21-19(14-20)8-5-13-30-21/h2-10,13-16H,11-12H2,1H3,(H2,29,34)(H,35,36).
What are the key properties of 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).