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

C22H21ClN8O — CID 137430214

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)C3CCNC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H21ClN8O/c1-31-8-5-16(30-31)19-18(14-9-12-3-2-6-26-17(12)15(23)10-14)28-21(20(24)27-19)29-22(32)13-4-7-25-11-13/h2-3,5-6,8-10,13,25H,4,7,11H2,1H3,(H2,24,27)(H,28,29,32)
InChIKeyIWZRMURRLCIRMR-UHFFFAOYSA-N
MW448.92 g/mol
LogP2.88
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 137430214) has the molecular formula C22H21ClN8O and a molecular weight of 448.92 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide
PubChem CID137430214
Molecular FormulaC22H21ClN8O
Molecular Weight448.92 g/mol
Exact Mass448.15
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)C3CCNC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H21ClN8O/c1-31-8-5-16(30-31)19-18(14-9-12-3-2-6-26-17(12)15(23)10-14)28-21(20(24)27-19)29-22(32)13-4-7-25-11-13/h2-3,5-6,8-10,13,25H,4,7,11H2,1H3,(H2,24,27)(H,28,29,32)
InChIKeyIWZRMURRLCIRMR-UHFFFAOYSA-N
XLogP2.88
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.92
LogP ≤ 52.88
H-Bond Donors ≤ 53
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]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide (CID 137430214) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide is Cn1ccc(-c2nc(N)c(NC(=O)C3CCNC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is IWZRMURRLCIRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8O/c1-31-8-5-16(30-31)19-18(14-9-12-3-2-6-26-17(12)15(23)10-14)28-21(20(24)27-19)29-22(32)13-4-7-25-11-13/h2-3,5-6,8-10,13,25H,4,7,11H2,1H3,(H2,24,27)(H,28,29,32).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 448.92 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 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]pyrrolidine-3-carboxamide is sourced from PubChem (CID 137430214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).