3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C30H23F3N6O — CID 154658025

IUPAC3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C30H23F3N6O/c31-30(32,33)21-14-22(17-8-9-17)24(36-15-21)16-37-29(40)27-28(34)39-25(18-5-2-1-3-6-18)26(38-27)20-10-11-23-19(13-20)7-4-12-35-23/h1-7,10-15,17H,8-9,16H2,(H2,34,39)(H,37,40)
InChIKeyXPEIIRVCXGLBAE-UHFFFAOYSA-N
MW540.55 g/mol
LogP6.16
Rot. Bonds6

About 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658025) has the molecular formula C30H23F3N6O and a molecular weight of 540.55 g/mol. Its IUPAC name is 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154658025
Molecular FormulaC30H23F3N6O
Molecular Weight540.55 g/mol
Exact Mass540.19
IUPAC Name3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C30H23F3N6O/c31-30(32,33)21-14-22(17-8-9-17)24(36-15-21)16-37-29(40)27-28(34)39-25(18-5-2-1-3-6-18)26(38-27)20-10-11-23-19(13-20)7-4-12-35-23/h1-7,10-15,17H,8-9,16H2,(H2,34,39)(H,37,40)
InChIKeyXPEIIRVCXGLBAE-UHFFFAOYSA-N
XLogP6.16
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
3-amino-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604777
3-amino-N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657820
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-N-[2-(3-methoxy-2-pyridinyl)propan-2-yl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604804
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-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658025) is 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1ncc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is XPEIIRVCXGLBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6O/c31-30(32,33)21-14-22(17-8-9-17)24(36-15-21)16-37-29(40)27-28(34)39-25(18-5-2-1-3-6-18)26(38-27)20-10-11-23-19(13-20)7-4-12-35-23/h1-7,10-15,17H,8-9,16H2,(H2,34,39)(H,37,40).
What are the key properties of 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 540.55 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).