N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H16Cl2N6O — CID 118665343

IUPACN-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cnc2ncc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H16Cl2N6O/c24-17-7-16-5-14(1-2-21(16)27-9-17)6-19-8-15(3-4-26-19)22(32)28-11-20-12-30-23-29-10-18(25)13-31(20)23/h1-5,7-10,12-13H,6,11H2,(H,28,32)
InChIKeyXQDDXYPQKRKBDF-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.50
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665343) has the molecular formula C23H16Cl2N6O and a molecular weight of 463.33 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665343
Molecular FormulaC23H16Cl2N6O
Molecular Weight463.33 g/mol
Exact Mass462.08
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cnc2ncc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H16Cl2N6O/c24-17-7-16-5-14(1-2-21(16)27-9-17)6-19-8-15(3-4-26-19)22(32)28-11-20-12-30-23-29-10-18(25)13-31(20)23/h1-5,7-10,12-13H,6,11H2,(H,28,32)
InChIKeyXQDDXYPQKRKBDF-UHFFFAOYSA-N
XLogP4.50
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665343) is N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is O=C(NCc1cnc2ncc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is XQDDXYPQKRKBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O/c24-17-7-16-5-14(1-2-21(16)27-9-17)6-19-8-15(3-4-26-19)22(32)28-11-20-12-30-23-29-10-18(25)13-31(20)23/h1-5,7-10,12-13H,6,11H2,(H,28,32).
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).