3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide

C23H17ClN8O — CID 154658148

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCc1ccn(-c2nc(N)c(C(=O)Nc3ccccn3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H17ClN8O/c1-13-7-10-32(31-13)22-19(15-11-14-5-4-9-27-18(14)16(24)12-15)29-20(21(25)30-22)23(33)28-17-6-2-3-8-26-17/h2-12H,1H3,(H2,25,30)(H,26,28,33)
InChIKeyLYIGOHKDDORKPR-UHFFFAOYSA-N
MW456.90 g/mol
LogP4.07
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 154658148) has the molecular formula C23H17ClN8O and a molecular weight of 456.90 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID154658148
Molecular FormulaC23H17ClN8O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCc1ccn(-c2nc(N)c(C(=O)Nc3ccccn3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H17ClN8O/c1-13-7-10-32(31-13)22-19(15-11-14-5-4-9-27-18(14)16(24)12-15)29-20(21(25)30-22)23(33)28-17-6-2-3-8-26-17/h2-12H,1H3,(H2,25,30)(H,26,28,33)
InChIKeyLYIGOHKDDORKPR-UHFFFAOYSA-N
XLogP4.07
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide (CID 154658148) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide is Cc1ccn(-c2nc(N)c(C(=O)Nc3ccccn3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is LYIGOHKDDORKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN8O/c1-13-7-10-32(31-13)22-19(15-11-14-5-4-9-27-18(14)16(24)12-15)29-20(21(25)30-22)23(33)28-17-6-2-3-8-26-17/h2-12H,1H3,(H2,25,30)(H,26,28,33).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 456.90 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).