N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide

C25H23ClN6O — CID 137431006

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C25H23ClN6O/c1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,29)(H,30,31,33)
InChIKeyPBXJQPUDKMLXRC-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.48
Rot. Bonds4

About N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 137431006) has the molecular formula C25H23ClN6O and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID137431006
Molecular FormulaC25H23ClN6O
Molecular Weight458.95 g/mol
Exact Mass458.16
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C25H23ClN6O/c1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,29)(H,30,31,33)
InChIKeyPBXJQPUDKMLXRC-UHFFFAOYSA-N
XLogP4.48
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol
CID 137431727
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 137431124
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 137431634
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (CID 137431006) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is PBXJQPUDKMLXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O/c1-32-11-9-17(14-32)25(33)31-24-23(27)29-21(15-6-3-2-4-7-15)22(30-24)18-12-16-8-5-10-28-20(16)19(26)13-18/h2-8,10,12-13,17H,9,11,14H2,1H3,(H2,27,29)(H,30,31,33).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 137431006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).