N-[3-fluoro-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

C23H22FN7S — CID 170725742

IUPACN-[3-fluoro-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(Nc3nc(N4C[C@@H]5C[C@H]4CN5C)ccc3F)ncc2s1
InChIInChI=1S/C23H22FN7S/c1-13-4-3-7-25-21(13)23-27-17-9-19(26-10-18(17)32-23)28-22-16(24)5-6-20(29-22)31-12-14-8-15(31)11-30(14)2/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,26,28,29)/t14-,15-/m0/s1
InChIKeyYILNAOFWUXMTJP-GJZGRUSLSA-N
MW447.54 g/mol
LogP4.23
Rot. Bonds4

About N-[3-fluoro-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-[3-fluoro-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 170725742) has the molecular formula C23H22FN7S and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[3-fluoro-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-[3-fluoro-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 CID170725742
Molecular FormulaC23H22FN7S
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC NameN-[3-fluoro-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(Nc3nc(N4C[C@@H]5C[C@H]4CN5C)ccc3F)ncc2s1
InChIInChI=1S/C23H22FN7S/c1-13-4-3-7-25-21(13)23-27-17-9-19(26-10-18(17)32-23)28-22-16(24)5-6-20(29-22)31-12-14-8-15(31)11-30(14)2/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,26,28,29)/t14-,15-/m0/s1
InChIKeyYILNAOFWUXMTJP-GJZGRUSLSA-N
XLogP4.23
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-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-[3-fluoro-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-[3-fluoro-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 170725742) is N-[3-fluoro-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-[3-fluoro-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-[3-fluoro-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(Nc3nc(N4C[C@@H]5C[C@H]4CN5C)ccc3F)ncc2s1.
What is the InChIKey of N-[3-fluoro-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 YILNAOFWUXMTJP-GJZGRUSLSA-N. The full InChI is InChI=1S/C23H22FN7S/c1-13-4-3-7-25-21(13)23-27-17-9-19(26-10-18(17)32-23)28-22-16(24)5-6-20(29-22)31-12-14-8-15(31)11-30(14)2/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,26,28,29)/t14-,15-/m0/s1.
What are the key properties of N-[3-fluoro-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-[3-fluoro-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 447.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-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 170725742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).