2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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

C23H27N9OS — CID 170725322

IUPAC2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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
SMILESCOCc1c(-c2nc3cc(Nc4cc(C)nc(N5C[C@@H]6C[C@H]5CN6C)n4)ncc3s2)cnn1C
InChIInChI=1S/C23H27N9OS/c1-13-5-21(29-23(26-13)32-11-14-6-15(32)10-30(14)2)28-20-7-17-19(9-24-20)34-22(27-17)16-8-25-31(3)18(16)12-33-4/h5,7-9,14-15H,6,10-12H2,1-4H3,(H,24,26,28,29)/t14-,15-/m0/s1
InChIKeyYOEYDGNJILUJTL-GJZGRUSLSA-N
MW477.60 g/mol
LogP2.97
Rot. Bonds6

About 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 170725322) has the molecular formula C23H27N9OS and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 CID170725322
Molecular FormulaC23H27N9OS
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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
SMILESCOCc1c(-c2nc3cc(Nc4cc(C)nc(N5C[C@@H]6C[C@H]5CN6C)n4)ncc3s2)cnn1C
InChIInChI=1S/C23H27N9OS/c1-13-5-21(29-23(26-13)32-11-14-6-15(32)10-30(14)2)28-20-7-17-19(9-24-20)34-22(27-17)16-8-25-31(3)18(16)12-33-4/h5,7-9,14-15H,6,10-12H2,1-4H3,(H,24,26,28,29)/t14-,15-/m0/s1
InChIKeyYOEYDGNJILUJTL-GJZGRUSLSA-N
XLogP2.97
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 170725322) is 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 COCc1c(-c2nc3cc(Nc4cc(C)nc(N5C[C@@H]6C[C@H]5CN6C)n4)ncc3s2)cnn1C.
What is the InChIKey of 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 YOEYDGNJILUJTL-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H27N9OS/c1-13-5-21(29-23(26-13)32-11-14-6-15(32)10-30(14)2)28-20-7-17-19(9-24-20)34-22(27-17)16-8-25-31(3)18(16)12-33-4/h5,7-9,14-15H,6,10-12H2,1-4H3,(H,24,26,28,29)/t14-,15-/m0/s1.
What are the key properties of 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 477.60 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-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 170725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).