N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide

C26H27N5O2S — CID 10116300

IUPACN-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC(NC(=O)C6CCC6)C5)sc34)ccc2[nH]1
InChIInChI=1S/C26H27N5O2S/c1-15-11-17-12-18(5-6-20(17)28-15)29-21-7-9-27-22-13-23(34-24(21)22)26(33)31-10-8-19(14-31)30-25(32)16-3-2-4-16/h5-7,9,11-13,16,19,28H,2-4,8,10,14H2,1H3,(H,27,29)(H,30,32)
InChIKeyKIHFEELKZOPSNZ-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.96
Rot. Bonds5

About N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide

N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 10116300) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID10116300
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC NameN-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC(NC(=O)C6CCC6)C5)sc34)ccc2[nH]1
InChIInChI=1S/C26H27N5O2S/c1-15-11-17-12-18(5-6-20(17)28-15)29-21-7-9-27-22-13-23(34-24(21)22)26(33)31-10-8-19(14-31)30-25(32)16-3-2-4-16/h5-7,9,11-13,16,19,28H,2-4,8,10,14H2,1H3,(H,27,29)(H,30,32)
InChIKeyKIHFEELKZOPSNZ-UHFFFAOYSA-N
XLogP4.96
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]acetamide
CID 22278618
[(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
4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid
CID 22278669
[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401146
5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 20746038
N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
CID 70157778
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol
CID 10224831
2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone
CID 159313197
N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86857648
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide
CID 70158980

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide (CID 10116300) is N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide is Cc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC(NC(=O)C6CCC6)C5)sc34)ccc2[nH]1.
What is the InChIKey of N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is KIHFEELKZOPSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-15-11-17-12-18(5-6-20(17)28-15)29-21-7-9-27-22-13-23(34-24(21)22)26(33)31-10-8-19(14-31)30-25(32)16-3-2-4-16/h5-7,9,11-13,16,19,28H,2-4,8,10,14H2,1H3,(H,27,29)(H,30,32).
What are the key properties of N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 10116300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).