N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

C24H17Cl2N5O — CID 118212832

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H17Cl2N5O/c25-17-2-4-22-20(11-17)23(31-30-22)13-29-24(32)15-5-6-27-19(10-15)8-14-1-3-21-16(7-14)9-18(26)12-28-21/h1-7,9-12H,8,13H2,(H,29,32)(H,30,31)
InChIKeyYXHGJDJGKSPRKX-UHFFFAOYSA-N
MW462.34 g/mol
LogP5.33
Rot. Bonds5

About N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212832) has the molecular formula C24H17Cl2N5O and a molecular weight of 462.34 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118212832
Molecular FormulaC24H17Cl2N5O
Molecular Weight462.34 g/mol
Exact Mass461.08
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H17Cl2N5O/c25-17-2-4-22-20(11-17)23(31-30-22)13-29-24(32)15-5-6-27-19(10-15)8-14-1-3-21-16(7-14)9-18(26)12-28-21/h1-7,9-12H,8,13H2,(H,29,32)(H,30,31)
InChIKeyYXHGJDJGKSPRKX-UHFFFAOYSA-N
XLogP5.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.34
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118212832) is N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YXHGJDJGKSPRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O/c25-17-2-4-22-20(11-17)23(31-30-22)13-29-24(32)15-5-6-27-19(10-15)8-14-1-3-21-16(7-14)9-18(26)12-28-21/h1-7,9-12H,8,13H2,(H,29,32)(H,30,31).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 462.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).