[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium

C26H25N4O4S+ — CID 142802089

IUPAC[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
SMILESC#CC[NH2+]C(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc21
InChIInChI=1S/C26H24N4O4S/c1-4-9-28-26(32)30-16(2)12-17-13-18(5-6-21(17)30)34-22-7-10-27-20-14-23(35-24(20)22)25(31)29-11-8-19(15-29)33-3/h1,5-7,10,12-14,19H,8-9,11,15H2,2-3H3,(H,28,32)/p+1/t19-/m0/s1
InChIKeyPJWVMDHNOWVNTA-IBGZPJMESA-O
MW489.58 g/mol
LogP3.38
Rot. Bonds5

About [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium

[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium (PubChem CID 142802089) has the molecular formula C26H25N4O4S+ and a molecular weight of 489.58 g/mol. Its IUPAC name is [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium.

Molecular Properties

Compound Name[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
PubChem CID142802089
Molecular FormulaC26H25N4O4S+
Molecular Weight489.58 g/mol
Exact Mass489.16
IUPAC Name[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
SMILESC#CC[NH2+]C(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc21
InChIInChI=1S/C26H24N4O4S/c1-4-9-28-26(32)30-16(2)12-17-13-18(5-6-21(17)30)34-22-7-10-27-20-14-23(35-24(20)22)25(31)29-11-8-19(15-29)33-3/h1,5-7,10,12-14,19H,8-9,11,15H2,2-3H3,(H,28,32)/p+1/t19-/m0/s1
InChIKeyPJWVMDHNOWVNTA-IBGZPJMESA-O
XLogP3.38
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
N-cyclopropyl-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;N-(4-hydroxybut-2-ynyl)-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;5-[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 158215569
N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746099
N-(3-hydroxypropyl)-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746080
N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746097
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456628
5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746035
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036
4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746006
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
1-[2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-yl]propan-1-one
CID 23572867
N-(3-hydroxypropyl)-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990759

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium?
The IUPAC name of [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium (CID 142802089) is [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium.
What is the SMILES notation for [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium?
The canonical SMILES for [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium is C#CC[NH2+]C(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc21.
What is the InChIKey of [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium?
The InChIKey is PJWVMDHNOWVNTA-IBGZPJMESA-O. The full InChI is InChI=1S/C26H24N4O4S/c1-4-9-28-26(32)30-16(2)12-17-13-18(5-6-21(17)30)34-22-7-10-27-20-14-23(35-24(20)22)25(31)29-11-8-19(15-29)33-3/h1,5-7,10,12-14,19H,8-9,11,15H2,2-3H3,(H,28,32)/p+1/t19-/m0/s1.
What are the key properties of [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium?
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium has a molecular weight of 489.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium is sourced from PubChem (CID 142802089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).