2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide

C26H26ClN3O4 — CID 149115689

IUPAC2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c3c(n2)-c2ccc(N4CCOCC4)cc2C3)cc1Cl
InChIInChI=1S/C26H26ClN3O4/c1-32-10-11-34-24-5-2-16(14-22(24)27)23-15-21(26(28)31)20-13-17-12-18(30-6-8-33-9-7-30)3-4-19(17)25(20)29-23/h2-5,12,14-15H,6-11,13H2,1H3,(H2,28,31)
InChIKeyQYIBADWMKNMQFE-UHFFFAOYSA-N
MW479.96 g/mol
LogP3.93
Rot. Bonds7

About 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide

2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide (PubChem CID 149115689) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
PubChem CID149115689
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESCOCCOc1ccc(-c2cc(C(N)=O)c3c(n2)-c2ccc(N4CCOCC4)cc2C3)cc1Cl
InChIInChI=1S/C26H26ClN3O4/c1-32-10-11-34-24-5-2-16(14-22(24)27)23-15-21(26(28)31)20-13-17-12-18(30-6-8-33-9-7-30)3-4-19(17)25(20)29-23/h2-5,12,14-15H,6-11,13H2,1H3,(H2,28,31)
InChIKeyQYIBADWMKNMQFE-UHFFFAOYSA-N
XLogP3.93
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 159826865
2-(3-fluoro-4-hydroxyphenyl)-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 147037417
2-(1-methylindazol-5-yl)-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 149104787
2-bromo-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 160822160
2-[3-chloro-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604492
methyl 4-[2-[4-(4-carbamoyl-7-morpholin-4-yl-5H-pyrido[3,2-b]indol-2-yl)-2-chlorophenoxy]ethyl]piperazine-1-carboxylate
CID 66614365
2-[3-chloro-4-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604896
2-[3-chloro-4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604772
CID 89054149
CID 89054149
3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
CID 66604336
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604352

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The IUPAC name of 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide (CID 149115689) is 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide is COCCOc1ccc(-c2cc(C(N)=O)c3c(n2)-c2ccc(N4CCOCC4)cc2C3)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The InChIKey is QYIBADWMKNMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-32-10-11-34-24-5-2-16(14-22(24)27)23-15-21(26(28)31)20-13-17-12-18(30-6-8-33-9-7-30)3-4-19(17)25(20)29-23/h2-5,12,14-15H,6-11,13H2,1H3,(H2,28,31).
What are the key properties of 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide has a molecular weight of 479.96 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide is sourced from PubChem (CID 149115689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).