4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide

C22H25ClN4O3 — CID 135253001

IUPAC4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)c(Cl)c12
InChIInChI=1S/C22H25ClN4O3/c1-15-14-26(2)21-19(15)20(23)18(13-24-21)22(28)25-16-3-5-17(6-4-16)30-12-9-27-7-10-29-11-8-27/h3-6,13-14H,7-12H2,1-2H3,(H,25,28)
InChIKeyDUZJNWRJAAIINQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.50
Rot. Bonds6

About 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135253001) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135253001
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)c(Cl)c12
InChIInChI=1S/C22H25ClN4O3/c1-15-14-26(2)21-19(15)20(23)18(13-24-21)22(28)25-16-3-5-17(6-4-16)30-12-9-27-7-10-29-11-8-27/h3-6,13-14H,7-12H2,1-2H3,(H,25,28)
InChIKeyDUZJNWRJAAIINQ-UHFFFAOYSA-N
XLogP3.50
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253010
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 135144001
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
CID 156902307
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
2-cyclopropyl-2-ethoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 133246889
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
(2R)-2-cyclopropyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-propoxypropanamide
CID 100717701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide (CID 135253001) is 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(C)c2ncc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is DUZJNWRJAAIINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-15-14-26(2)21-19(15)20(23)18(13-24-21)22(28)25-16-3-5-17(6-4-16)30-12-9-27-7-10-29-11-8-27/h3-6,13-14H,7-12H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).