2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol

C26H28N6OS — CID 170726252

IUPAC2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
SMILESCN1C[C@@H]2C[C@H]1CN2c1cccc(Nc2cc3nc(-c4cccc(C(C)(C)O)c4)sc3cn2)n1
InChIInChI=1S/C26H28N6OS/c1-26(2,33)17-7-4-6-16(10-17)25-28-20-12-23(27-13-21(20)34-25)29-22-8-5-9-24(30-22)32-15-18-11-19(32)14-31(18)3/h4-10,12-13,18-19,33H,11,14-15H2,1-3H3,(H,27,29,30)/t18-,19-/m0/s1
InChIKeyQQFOECXJWXMSJQ-OALUTQOASA-N
MW472.62 g/mol
LogP4.62
Rot. Bonds5

About 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol

2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol (PubChem CID 170726252) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
PubChem CID170726252
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
SMILESCN1C[C@@H]2C[C@H]1CN2c1cccc(Nc2cc3nc(-c4cccc(C(C)(C)O)c4)sc3cn2)n1
InChIInChI=1S/C26H28N6OS/c1-26(2,33)17-7-4-6-16(10-17)25-28-20-12-23(27-13-21(20)34-25)29-22-8-5-9-24(30-22)32-15-18-11-19(32)14-31(18)3/h4-10,12-13,18-19,33H,11,14-15H2,1-3H3,(H,27,29,30)/t18-,19-/m0/s1
InChIKeyQQFOECXJWXMSJQ-OALUTQOASA-N
XLogP4.62
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol (CID 170726252) is 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol is CN1C[C@@H]2C[C@H]1CN2c1cccc(Nc2cc3nc(-c4cccc(C(C)(C)O)c4)sc3cn2)n1.
What is the InChIKey of 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
The InChIKey is QQFOECXJWXMSJQ-OALUTQOASA-N. The full InChI is InChI=1S/C26H28N6OS/c1-26(2,33)17-7-4-6-16(10-17)25-28-20-12-23(27-13-21(20)34-25)29-22-8-5-9-24(30-22)32-15-18-11-19(32)14-31(18)3/h4-10,12-13,18-19,33H,11,14-15H2,1-3H3,(H,27,29,30)/t18-,19-/m0/s1.
What are the key properties of 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol?
2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol has a molecular weight of 472.62 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 170726252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).