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

C28H29ClN4O3 — CID 159826865

IUPAC2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)nc2c1Cc1cc(N3CCOCC3)ccc1-2
InChIInChI=1S/C28H29ClN4O3/c29-25-15-18(1-2-19(25)17-32-5-9-35-10-6-32)26-16-24(28(30)34)23-14-20-13-21(33-7-11-36-12-8-33)3-4-22(20)27(23)31-26/h1-4,13,15-16H,5-12,14,17H2,(H2,30,34)
InChIKeyNMYINPGVSOKKEJ-UHFFFAOYSA-N
MW505.02 g/mol
LogP3.74
Rot. Bonds5

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

2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide (PubChem CID 159826865) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
PubChem CID159826865
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)nc2c1Cc1cc(N3CCOCC3)ccc1-2
InChIInChI=1S/C28H29ClN4O3/c29-25-15-18(1-2-19(25)17-32-5-9-35-10-6-32)26-16-24(28(30)34)23-14-20-13-21(33-7-11-36-12-8-33)3-4-22(20)27(23)31-26/h1-4,13,15-16H,5-12,14,17H2,(H2,30,34)
InChIKeyNMYINPGVSOKKEJ-UHFFFAOYSA-N
XLogP3.74
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.02
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-chloro-4-(2-methoxyethoxy)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 149115689
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
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
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
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 86969627
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 158118957
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-hydroxy-5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]benzamide
CID 131963040

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The IUPAC name of 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide (CID 159826865) is 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)nc2c1Cc1cc(N3CCOCC3)ccc1-2.
What is the InChIKey of 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
The InChIKey is NMYINPGVSOKKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c29-25-15-18(1-2-19(25)17-32-5-9-35-10-6-32)26-16-24(28(30)34)23-14-20-13-21(33-7-11-36-12-8-33)3-4-22(20)27(23)31-26/h1-4,13,15-16H,5-12,14,17H2,(H2,30,34).
What are the key properties of 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide?
2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide has a molecular weight of 505.02 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide is sourced from PubChem (CID 159826865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).