N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide

C57H52N12O5 — CID 159447927

IUPACN-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide
SMILESCc1ccc2n[nH]c(C(NC(=O)c3cncc(Cc4ccc(Cn5ccccc5=O)cc4)c3)C(N)=O)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(N(C)c4ccc(Cn5ccccc5=O)cc4)c3)c2c1
InChIInChI=1S/C29H26N6O3.C28H26N6O2/c1-18-5-10-24-23(12-18)26(34-33-24)27(28(30)37)32-29(38)22-14-21(15-31-16-22)13-19-6-8-20(9-7-19)17-35-11-3-2-4-25(35)36;1-19-6-11-25-24(13-19)26(32-31-25)17-30-28(36)21-14-23(16-29-15-21)33(2)22-9-7-20(8-10-22)18-34-12-4-3-5-27(34)35/h2-12,14-16,27H,13,17H2,1H3,(H2,30,37)(H,32,38)(H,33,34);3-16H,17-18H2,1-2H3,(H,30,36)(H,31,32)
InChIKeyLSZMTBQGNGKHJR-UHFFFAOYSA-N
MW985.12 g/mol
LogP7.20
Rot. Bonds15

About N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide

N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide (PubChem CID 159447927) has the molecular formula C57H52N12O5 and a molecular weight of 985.12 g/mol. Its IUPAC name is N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide
PubChem CID159447927
Molecular FormulaC57H52N12O5
Molecular Weight985.12 g/mol
Exact Mass984.42
IUPAC NameN-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide
SMILESCc1ccc2n[nH]c(C(NC(=O)c3cncc(Cc4ccc(Cn5ccccc5=O)cc4)c3)C(N)=O)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(N(C)c4ccc(Cn5ccccc5=O)cc4)c3)c2c1
InChIInChI=1S/C29H26N6O3.C28H26N6O2/c1-18-5-10-24-23(12-18)26(34-33-24)27(28(30)37)32-29(38)22-14-21(15-31-16-22)13-19-6-8-20(9-7-19)17-35-11-3-2-4-25(35)36;1-19-6-11-25-24(13-19)26(32-31-25)17-30-28(36)21-14-23(16-29-15-21)33(2)22-9-7-20(8-10-22)18-34-12-4-3-5-27(34)35/h2-12,14-16,27H,13,17H2,1H3,(H2,30,37)(H,32,38)(H,33,34);3-16H,17-18H2,1-2H3,(H,30,36)(H,31,32)
InChIKeyLSZMTBQGNGKHJR-UHFFFAOYSA-N
XLogP7.20
TPSA231.67 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.12
LogP ≤ 57.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide (CID 159447927) is N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide is Cc1ccc2n[nH]c(C(NC(=O)c3cncc(Cc4ccc(Cn5ccccc5=O)cc4)c3)C(N)=O)c2c1.Cc1ccc2n[nH]c(CNC(=O)c3cncc(N(C)c4ccc(Cn5ccccc5=O)cc4)c3)c2c1.
What is the InChIKey of N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide?
The InChIKey is LSZMTBQGNGKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3.C28H26N6O2/c1-18-5-10-24-23(12-18)26(34-33-24)27(28(30)37)32-29(38)22-14-21(15-31-16-22)13-19-6-8-20(9-7-19)17-35-11-3-2-4-25(35)36;1-19-6-11-25-24(13-19)26(32-31-25)17-30-28(36)21-14-23(16-29-15-21)33(2)22-9-7-20(8-10-22)18-34-12-4-3-5-27(34)35/h2-12,14-16,27H,13,17H2,1H3,(H2,30,37)(H,32,38)(H,33,34);3-16H,17-18H2,1-2H3,(H,30,36)(H,31,32).
What are the key properties of N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide?
N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide has a molecular weight of 985.12 g/mol, XLogP of 7.20, 15 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(5-methyl-2H-indazol-3-yl)-2-oxoethyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide;N-[(5-methyl-2H-indazol-3-yl)methyl]-5-[N-methyl-4-[(2-oxo-1-pyridinyl)methyl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 159447927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).