N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide

C42H37ClN6O6 — CID 163249087

IUPACN-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(CCN(Cc3cncc(Cl)c3)Cc3ccc4c(cnn4C)c3)cc2)cc1OC
InChIInChI=1S/C42H37ClN6O6/c1-48-35-13-10-27(16-29(35)22-45-48)24-49(25-28-17-30(43)23-44-21-28)15-14-26-8-11-31(12-9-26)46-41(51)33-18-38(53-2)39(54-3)19-34(33)47-42(52)40-20-36(50)32-6-4-5-7-37(32)55-40/h4-13,16-23H,14-15,24-25H2,1-3H3,(H,46,51)(H,47,52)
InChIKeyFPTITYNECRFALD-UHFFFAOYSA-N
MW757.25 g/mol
LogP7.49
Rot. Bonds13

About N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide

N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide (PubChem CID 163249087) has the molecular formula C42H37ClN6O6 and a molecular weight of 757.25 g/mol. Its IUPAC name is N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
PubChem CID163249087
Molecular FormulaC42H37ClN6O6
Molecular Weight757.25 g/mol
Exact Mass756.25
IUPAC NameN-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(CCN(Cc3cncc(Cl)c3)Cc3ccc4c(cnn4C)c3)cc2)cc1OC
InChIInChI=1S/C42H37ClN6O6/c1-48-35-13-10-27(16-29(35)22-45-48)24-49(25-28-17-30(43)23-44-21-28)15-14-26-8-11-31(12-9-26)46-41(51)33-18-38(53-2)39(54-3)19-34(33)47-42(52)40-20-36(50)32-6-4-5-7-37(32)55-40/h4-13,16-23H,14-15,24-25H2,1-3H3,(H,46,51)(H,47,52)
InChIKeyFPTITYNECRFALD-UHFFFAOYSA-N
XLogP7.49
TPSA140.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.25
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4,5-dimethoxy-2-[[4-[2-[[5-(2-methoxyethoxy)-3-pyridinyl]methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 163248955
N-[4,5-dimethoxy-2-[[4-[4-(1-methylindazol-5-yl)butyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 165086107
N-[4,5-dimethoxy-2-[[4-[2-[(1-methylindazol-5-yl)methyl-(pyridin-3-ylmethyl)amino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide;2-[4-[[4,5-dimethoxy-2-[(4-oxochromene-2-carbonyl)amino]benzoyl]amino]phenyl]-N-[(1-methylindazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine oxide
CID 165101493
N-[2-[[4-[2-[1H-imidazol-2-ylmethyl-[(1-methylindazol-6-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728922
(2-oxo-1,3-dioxol-4-yl)methyl 4-[[4-[2-[(5-methoxy-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-3-[(4-oxochromene-2-carbonyl)amino]benzoate
CID 163249122
N-[2-[[4-[2-[(1-ethylindazol-5-yl)methyl-[(3-imidazol-1-ylphenyl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 163249024
N-[4,5-dimethoxy-2-[[4-[2-[(1-methylindazol-7-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]ethyl]phenyl]carbamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 163249043
N-[2-[[4-[2-[ethyl(1H-indazol-5-ylmethyl)amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 163249163
4-[[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 163249004
N-[2-[[4-[2-[ethyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 169005703
N-[2-[[4-[2-[(4-imidazol-1-yl-3-methoxyphenyl)methyl-propylamino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728898
N-[2-[[4-[2-[ethyl-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
CID 164728912

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide (CID 163249087) is N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide is COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(CCN(Cc3cncc(Cl)c3)Cc3ccc4c(cnn4C)c3)cc2)cc1OC.
What is the InChIKey of N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is FPTITYNECRFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37ClN6O6/c1-48-35-13-10-27(16-29(35)22-45-48)24-49(25-28-17-30(43)23-44-21-28)15-14-26-8-11-31(12-9-26)46-41(51)33-18-38(53-2)39(54-3)19-34(33)47-42(52)40-20-36(50)32-6-4-5-7-37(32)55-40/h4-13,16-23H,14-15,24-25H2,1-3H3,(H,46,51)(H,47,52).
What are the key properties of N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide?
N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 757.25 g/mol, XLogP of 7.49, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-[(5-chloro-3-pyridinyl)methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 163249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).