ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate

C18H23N3O3 — CID 129231409

IUPACethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(N3CCOCC3)nc2n1CC1CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(22)15-11-14-5-6-16(20-7-9-23-10-8-20)19-17(14)21(15)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyFATAZSYHORQGKJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.46
Rot. Bonds5

About ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 129231409) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID129231409
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(N3CCOCC3)nc2n1CC1CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-18(22)15-11-14-5-6-16(20-7-9-23-10-8-20)19-17(14)21(15)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3
InChIKeyFATAZSYHORQGKJ-UHFFFAOYSA-N
XLogP2.46
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 129223778
ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 129231370
ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
CID 155513244
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
N-(2-amino-6-morpholin-4-yl-3-pyridinyl)propanamide
CID 110178379
methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 129231413
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
ethyl 1-(cyanomethyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 156821165
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
N-[(3-methylphenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161279

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate (CID 129231409) is ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2ccc(N3CCOCC3)nc2n1CC1CC1.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is FATAZSYHORQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-18(22)15-11-14-5-6-16(20-7-9-23-10-8-20)19-17(14)21(15)12-13-3-4-13/h5-6,11,13H,2-4,7-10,12H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 129231409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).