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

C26H28N8O2S — CID 170725528

IUPACN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ccnc(O[C@H]5CCOC5)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C26H28N8O2S/c1-15-7-23(32-26(29-15)34-13-17-9-18(34)12-33(17)2)31-22-10-20-21(11-28-22)37-25(30-20)16-3-5-27-24(8-16)36-19-4-6-35-14-19/h3,5,7-8,10-11,17-19H,4,6,9,12-14H2,1-2H3,(H,28,29,31,32)/t17-,18-,19-/m0/s1
InChIKeyJTUHKYIWYKXJBZ-FHWLQOOXSA-N
MW516.63 g/mol
LogP3.66
Rot. Bonds6

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

N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725528) has the molecular formula C26H28N8O2S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725528
Molecular FormulaC26H28N8O2S
Molecular Weight516.63 g/mol
Exact Mass516.21
IUPAC NameN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ccnc(O[C@H]5CCOC5)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C26H28N8O2S/c1-15-7-23(32-26(29-15)34-13-17-9-18(34)12-33(17)2)31-22-10-20-21(11-28-22)37-25(30-20)16-3-5-27-24(8-16)36-19-4-6-35-14-19/h3,5,7-8,10-11,17-19H,4,6,9,12-14H2,1-2H3,(H,28,29,31,32)/t17-,18-,19-/m0/s1
InChIKeyJTUHKYIWYKXJBZ-FHWLQOOXSA-N
XLogP3.66
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725528) is N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cc(Nc2cc3nc(-c4ccnc(O[C@H]5CCOC5)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is JTUHKYIWYKXJBZ-FHWLQOOXSA-N. The full InChI is InChI=1S/C26H28N8O2S/c1-15-7-23(32-26(29-15)34-13-17-9-18(34)12-33(17)2)31-22-10-20-21(11-28-22)37-25(30-20)16-3-5-27-24(8-16)36-19-4-6-35-14-19/h3,5,7-8,10-11,17-19H,4,6,9,12-14H2,1-2H3,(H,28,29,31,32)/t17-,18-,19-/m0/s1.
What are the key properties of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 516.63 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).