3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C18H23ClN6OS — CID 162784876

IUPAC3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESC[C@@H]1CN(CCNc2cc(N)nc3c(Cl)c(-c4ccn[nH]4)sc23)C[C@@H](C)O1
InChIInChI=1S/C18H23ClN6OS/c1-10-8-25(9-11(2)26-10)6-5-21-13-7-14(20)23-16-15(19)17(27-18(13)16)12-3-4-22-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,24)(H3,20,21,23)/t10-,11-/m1/s1
InChIKeyZMAIEKLQOXTZFK-GHMZBOCLSA-N
MW406.94 g/mol
LogP3.44
Rot. Bonds5

About 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162784876) has the molecular formula C18H23ClN6OS and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162784876
Molecular FormulaC18H23ClN6OS
Molecular Weight406.94 g/mol
Exact Mass406.13
IUPAC Name3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESC[C@@H]1CN(CCNc2cc(N)nc3c(Cl)c(-c4ccn[nH]4)sc23)C[C@@H](C)O1
InChIInChI=1S/C18H23ClN6OS/c1-10-8-25(9-11(2)26-10)6-5-21-13-7-14(20)23-16-15(19)17(27-18(13)16)12-3-4-22-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,24)(H3,20,21,23)/t10-,11-/m1/s1
InChIKeyZMAIEKLQOXTZFK-GHMZBOCLSA-N
XLogP3.44
TPSA92.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine with MolForge

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Related Compounds

1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 154684721
6-chloro-4-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrimidine-2,4-diamine
CID 51983136
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700
4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-amine
CID 95561109
7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;hydrochloride
CID 162785059
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-methylpyridin-2-amine
CID 133313665
5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
CID 97093099
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162784876) is 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is C[C@@H]1CN(CCNc2cc(N)nc3c(Cl)c(-c4ccn[nH]4)sc23)C[C@@H](C)O1.
What is the InChIKey of 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is ZMAIEKLQOXTZFK-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H23ClN6OS/c1-10-8-25(9-11(2)26-10)6-5-21-13-7-14(20)23-16-15(19)17(27-18(13)16)12-3-4-22-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,24)(H3,20,21,23)/t10-,11-/m1/s1.
What are the key properties of 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 406.94 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162784876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).