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

C23H23ClN8O — CID 137430227

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1
InChIInChI=1S/C23H23ClN8O/c1-31-8-5-14(12-31)23(33)29-22-21(25)27-20(17-6-9-32(2)30-17)19(28-22)15-10-13-4-3-7-26-18(13)16(24)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,25,27)(H,28,29,33)
InChIKeyAXCYVOWJWKGAMV-UHFFFAOYSA-N
MW462.95 g/mol
LogP3.22
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 137430227) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID137430227
Molecular FormulaC23H23ClN8O
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1
InChIInChI=1S/C23H23ClN8O/c1-31-8-5-14(12-31)23(33)29-22-21(25)27-20(17-6-9-32(2)30-17)19(28-22)15-10-13-4-3-7-26-18(13)16(24)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,25,27)(H,28,29,33)
InChIKeyAXCYVOWJWKGAMV-UHFFFAOYSA-N
XLogP3.22
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide (CID 137430227) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is CN1CCC(C(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is AXCYVOWJWKGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O/c1-31-8-5-14(12-31)23(33)29-22-21(25)27-20(17-6-9-32(2)30-17)19(28-22)15-10-13-4-3-7-26-18(13)16(24)11-15/h3-4,6-7,9-11,14H,5,8,12H2,1-2H3,(H2,25,27)(H,28,29,33).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 462.95 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 137430227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).