2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C23H22F2N8OS — CID 170726243

IUPAC2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ncccc4OC(F)F)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C23H22F2N8OS/c1-12-6-19(31-23(28-12)33-11-13-7-14(33)10-32(13)2)30-18-8-15-17(9-27-18)35-21(29-15)20-16(34-22(24)25)4-3-5-26-20/h3-6,8-9,13-14,22H,7,10-11H2,1-2H3,(H,27,28,30,31)/t13-,14-/m0/s1
InChIKeyJOMAHPUWQJHZHZ-KBPBESRZSA-N
MW496.55 g/mol
LogP4.09
Rot. Bonds6

About 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170726243) has the molecular formula C23H22F2N8OS and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170726243
Molecular FormulaC23H22F2N8OS
Molecular Weight496.55 g/mol
Exact Mass496.16
IUPAC Name2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ncccc4OC(F)F)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C23H22F2N8OS/c1-12-6-19(31-23(28-12)33-11-13-7-14(33)10-32(13)2)30-18-8-15-17(9-27-18)35-21(29-15)20-16(34-22(24)25)4-3-5-26-20/h3-6,8-9,13-14,22H,7,10-11H2,1-2H3,(H,27,28,30,31)/t13-,14-/m0/s1
InChIKeyJOMAHPUWQJHZHZ-KBPBESRZSA-N
XLogP4.09
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

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Related Compounds

4,6-Difluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66796902
2-[2-(Pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 66801719
5-(6-((1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)-2-(thiazol-2-yl)pyrimidin-4-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 117688686
5-(1,3-benzothiazol-2-yl)-2-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612222
2-[3-[4-(3-Methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
CID 172446093
4-[6-[4-[3-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-amine
CID 58759739
2-[2-(Pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
CID 59671536
4-fluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796533
4-Fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796534
4,6-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796901
4,6-Difluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796903
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)-6-(trifluoromethyl)thiazolo[4,5-b]pyridine hydrochloride
CID 66796973

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170726243) is 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cc(Nc2cc3nc(-c4ncccc4OC(F)F)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is JOMAHPUWQJHZHZ-KBPBESRZSA-N. The full InChI is InChI=1S/C23H22F2N8OS/c1-12-6-19(31-23(28-12)33-11-13-7-14(33)10-32(13)2)30-18-8-15-17(9-27-18)35-21(29-15)20-16(34-22(24)25)4-3-5-26-20/h3-6,8-9,13-14,22H,7,10-11H2,1-2H3,(H,27,28,30,31)/t13-,14-/m0/s1.
What are the key properties of 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 496.55 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170726243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).