[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone

C24H26N4O3S — CID 23401155

IUPAC[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
SMILESCOCCO[C@@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5[nH]c(C)cc5c4)c3s2)C1
InChIInChI=1S/C24H26N4O3S/c1-15-11-16-12-17(3-4-19(16)26-15)27-20-5-7-25-21-13-22(32-23(20)21)24(29)28-8-6-18(14-28)31-10-9-30-2/h3-5,7,11-13,18,26H,6,8-10,14H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyZFXLTZNCLSABDC-GOSISDBHSA-N
MW450.56 g/mol
LogP4.71
Rot. Bonds7

About [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone

[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone (PubChem CID 23401155) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
PubChem CID23401155
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
SMILESCOCCO[C@@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5[nH]c(C)cc5c4)c3s2)C1
InChIInChI=1S/C24H26N4O3S/c1-15-11-16-12-17(3-4-19(16)26-15)27-20-5-7-25-21-13-22(32-23(20)21)24(29)28-8-6-18(14-28)31-10-9-30-2/h3-5,7,11-13,18,26H,6,8-10,14H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyZFXLTZNCLSABDC-GOSISDBHSA-N
XLogP4.71
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-indol-3-yl)-1-(3-morpholin-4-ylpropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3671277
5-(1H-indol-1-yl)-N-[3-(morpholin-4-yl)propyl]thiophene-2-carboxamide
CID 20940665
3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide
CID 53137750
N-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[3-(1H-indol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]thiophene-2-carboxamide
CID 11432550
5-[[2-[(4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 60067034
5-[[2-[(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 60067050
5-[[2-[(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-N-methylindole-1-carboxamide
CID 60128539
7-[(2-methyl-1H-indol-5-yl)amino]-N,N-bis(2,2,2-trifluoroethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 88019181
(8S)-7-[2-[[5-[1-(3-fluorophenyl)ethyl]thiophene-2-carbonyl]amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 170963057
(2S,4R)-4-(difluoromethoxy)-1-[2-[(5-pyridin-2-ylthiophene-2-carbonyl)amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 170963343
(2S,4R)-4-(difluoromethoxy)-1-[2-[[4-fluoro-3-(thiophen-3-ylamino)benzoyl]amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 174197415
(2S,4R)-4-(difluoromethoxy)-1-[2-[(4-phenylthiophene-2-carbonyl)amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 174197501

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone?
The IUPAC name of [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone (CID 23401155) is [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone?
The canonical SMILES for [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone is COCCO[C@@H]1CCN(C(=O)c2cc3nccc(Nc4ccc5[nH]c(C)cc5c4)c3s2)C1.
What is the InChIKey of [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone?
The InChIKey is ZFXLTZNCLSABDC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15-11-16-12-17(3-4-19(16)26-15)27-20-5-7-25-21-13-22(32-23(20)21)24(29)28-8-6-18(14-28)31-10-9-30-2/h3-5,7,11-13,18,26H,6,8-10,14H2,1-2H3,(H,25,27)/t18-/m1/s1.
What are the key properties of [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone?
[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone has a molecular weight of 450.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 23401155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).