6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

C22H23FN6OS — CID 170747450

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C1CCN(c2ccc3cc(C(=O)Nc4cc(F)c5nn(C)cc5c4)sc3n2)C1
InChIInChI=1S/C22H23FN6OS/c1-27(2)16-6-7-29(12-16)19-5-4-13-9-18(31-22(13)25-19)21(30)24-15-8-14-11-28(3)26-20(14)17(23)10-15/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,24,30)
InChIKeyOMZMROUOAMNJIK-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.71
Rot. Bonds4

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 170747450) has the molecular formula C22H23FN6OS and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID170747450
Molecular FormulaC22H23FN6OS
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C1CCN(c2ccc3cc(C(=O)Nc4cc(F)c5nn(C)cc5c4)sc3n2)C1
InChIInChI=1S/C22H23FN6OS/c1-27(2)16-6-7-29(12-16)19-5-4-13-9-18(31-22(13)25-19)21(30)24-15-8-14-11-28(3)26-20(14)17(23)10-15/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,24,30)
InChIKeyOMZMROUOAMNJIK-UHFFFAOYSA-N
XLogP3.71
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 177202673
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747701
N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
CID 170747736
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 177202636
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848046
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 172551800
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinolin-6-yl]urea
CID 129386531
5-(4-fluorophenyl)-N-[2-[3-[methyl(2-methylpropanoyl)amino]pyrrolidin-1-yl]quinolin-6-yl]pyrimidine-2-carboxamide
CID 23111873
N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
CID 167500344
5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 170747771
tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 170747450) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is CN(C)C1CCN(c2ccc3cc(C(=O)Nc4cc(F)c5nn(C)cc5c4)sc3n2)C1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OMZMROUOAMNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6OS/c1-27(2)16-6-7-29(12-16)19-5-4-13-9-18(31-22(13)25-19)21(30)24-15-8-14-11-28(3)26-20(14)17(23)10-15/h4-5,8-11,16H,6-7,12H2,1-3H3,(H,24,30).
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 170747450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).