N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide

C27H22ClN5O2 — CID 118213198

IUPACN-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)n1
InChIInChI=1S/C27H22ClN5O2/c28-20-11-12-23-22(15-20)25(32-31-23)16-29-27(35)24-5-3-4-21(30-24)14-18-7-9-19(10-8-18)17-33-13-2-1-6-26(33)34/h1-13,15H,14,16-17H2,(H,29,35)(H,31,32)
InChIKeyKRPFNBXGEWPDFN-UHFFFAOYSA-N
MW483.96 g/mol
LogP4.34
Rot. Bonds7

About N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 118213198) has the molecular formula C27H22ClN5O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID118213198
Molecular FormulaC27H22ClN5O2
Molecular Weight483.96 g/mol
Exact Mass483.15
IUPAC NameN-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)n1
InChIInChI=1S/C27H22ClN5O2/c28-20-11-12-23-22(15-20)25(32-31-23)16-29-27(35)24-5-3-4-21(30-24)14-18-7-9-19(10-8-18)17-33-13-2-1-6-26(33)34/h1-13,15H,14,16-17H2,(H,29,35)(H,31,32)
InChIKeyKRPFNBXGEWPDFN-UHFFFAOYSA-N
XLogP4.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide (CID 118213198) is N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)n1.
What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is KRPFNBXGEWPDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN5O2/c28-20-11-12-23-22(15-20)25(32-31-23)16-29-27(35)24-5-3-4-21(30-24)14-18-7-9-19(10-8-18)17-33-13-2-1-6-26(33)34/h1-13,15H,14,16-17H2,(H,29,35)(H,31,32).
What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide?
N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-6-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118213198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).