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

C24H25N7S — CID 170725296

IUPACN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3ccc(C)c(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C24H25N7S/c1-14-5-4-8-25-22(14)24-27-18-10-21(26-11-19(18)32-24)28-20-7-6-15(2)23(29-20)31-13-16-9-17(31)12-30(16)3/h4-8,10-11,16-17H,9,12-13H2,1-3H3,(H,26,28,29)/t16-,17-/m0/s1
InChIKeyROLFPBNOHDJYBZ-IRXDYDNUSA-N
MW443.58 g/mol
LogP4.40
Rot. Bonds4

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

N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725296) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725296
Molecular FormulaC24H25N7S
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC NameN-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3ccc(C)c(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C24H25N7S/c1-14-5-4-8-25-22(14)24-27-18-10-21(26-11-19(18)32-24)28-20-7-6-15(2)23(29-20)31-13-16-9-17(31)12-30(16)3/h4-8,10-11,16-17H,9,12-13H2,1-3H3,(H,26,28,29)/t16-,17-/m0/s1
InChIKeyROLFPBNOHDJYBZ-IRXDYDNUSA-N
XLogP4.40
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-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-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725296) is N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cccnc1-c1nc2cc(Nc3ccc(C)c(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1.
What is the InChIKey of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is ROLFPBNOHDJYBZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H25N7S/c1-14-5-4-8-25-22(14)24-27-18-10-21(26-11-19(18)32-24)28-20-7-6-15(2)23(29-20)31-13-16-9-17(31)12-30(16)3/h4-8,10-11,16-17H,9,12-13H2,1-3H3,(H,26,28,29)/t16-,17-/m0/s1.
What are the key properties of N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 443.58 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).