3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide

C23H27FN6O2S — CID 118224231

IUPAC3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
SMILESNCC1CCN(c2cc(F)cc(C(=O)Nc3cnc4nc(N5CCOCC5)sc4c3)c2)CC1
InChIInChI=1S/C23H27FN6O2S/c24-17-9-16(10-19(11-17)29-3-1-15(13-25)2-4-29)22(31)27-18-12-20-21(26-14-18)28-23(33-20)30-5-7-32-8-6-30/h9-12,14-15H,1-8,13,25H2,(H,27,31)
InChIKeyONYIKKSYBMJKLP-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide

3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 118224231) has the molecular formula C23H27FN6O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
PubChem CID118224231
Molecular FormulaC23H27FN6O2S
Molecular Weight470.57 g/mol
Exact Mass470.19
IUPAC Name3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
SMILESNCC1CCN(c2cc(F)cc(C(=O)Nc3cnc4nc(N5CCOCC5)sc4c3)c2)CC1
InChIInChI=1S/C23H27FN6O2S/c24-17-9-16(10-19(11-17)29-3-1-15(13-25)2-4-29)22(31)27-18-12-20-21(26-14-18)28-23(33-20)30-5-7-32-8-6-30/h9-12,14-15H,1-8,13,25H2,(H,27,31)
InChIKeyONYIKKSYBMJKLP-UHFFFAOYSA-N
XLogP3.09
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
CID 118224339
6-(6-methyl-3-pyridinyl)-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 167636477
2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 118224190
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119871793
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69088455
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]cyclopentanecarboxamide
CID 58579700
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
CID 154784049
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide (CID 118224231) is 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide is NCC1CCN(c2cc(F)cc(C(=O)Nc3cnc4nc(N5CCOCC5)sc4c3)c2)CC1.
What is the InChIKey of 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is ONYIKKSYBMJKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2S/c24-17-9-16(10-19(11-17)29-3-1-15(13-25)2-4-29)22(31)27-18-12-20-21(26-14-18)28-23(33-20)30-5-7-32-8-6-30/h9-12,14-15H,1-8,13,25H2,(H,27,31).
What are the key properties of 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?
3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 118224231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).