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

C23H23N7S — CID 170725678

IUPACN-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1ccncc1-c1nc2cc(Nc3cccc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C23H23N7S/c1-14-6-7-24-10-17(14)23-26-18-9-21(25-11-19(18)31-23)27-20-4-3-5-22(28-20)30-13-15-8-16(30)12-29(15)2/h3-7,9-11,15-16H,8,12-13H2,1-2H3,(H,25,27,28)/t15-,16-/m0/s1
InChIKeyAQWKLQUAVFUKDB-HOTGVXAUSA-N
MW429.55 g/mol
LogP4.09
Rot. Bonds4

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

N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725678) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725678
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC NameN-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1ccncc1-c1nc2cc(Nc3cccc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C23H23N7S/c1-14-6-7-24-10-17(14)23-26-18-9-21(25-11-19(18)31-23)27-20-4-3-5-22(28-20)30-13-15-8-16(30)12-29(15)2/h3-7,9-11,15-16H,8,12-13H2,1-2H3,(H,25,27,28)/t15-,16-/m0/s1
InChIKeyAQWKLQUAVFUKDB-HOTGVXAUSA-N
XLogP4.09
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725678) is N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1ccncc1-c1nc2cc(Nc3cccc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1.
What is the InChIKey of N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is AQWKLQUAVFUKDB-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H23N7S/c1-14-6-7-24-10-17(14)23-26-18-9-21(25-11-19(18)31-23)27-20-4-3-5-22(28-20)30-13-15-8-16(30)12-29(15)2/h3-7,9-11,15-16H,8,12-13H2,1-2H3,(H,25,27,28)/t15-,16-/m0/s1.
What are the key properties of N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 429.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).