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

C25H26N8S — CID 170726179

IUPACN-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3cc(C4CC4)nc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C25H26N8S/c1-14-4-3-7-26-23(14)24-28-19-10-21(27-11-20(19)34-24)30-22-9-18(15-5-6-15)29-25(31-22)33-13-16-8-17(33)12-32(16)2/h3-4,7,9-11,15-17H,5-6,8,12-13H2,1-2H3,(H,27,29,30,31)/t16-,17-/m0/s1
InChIKeyYSHCJUALEVANAH-IRXDYDNUSA-N
MW470.61 g/mol
LogP4.37
Rot. Bonds5

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

N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170726179) has the molecular formula C25H26N8S and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170726179
Molecular FormulaC25H26N8S
Molecular Weight470.61 g/mol
Exact Mass470.20
IUPAC NameN-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cccnc1-c1nc2cc(Nc3cc(C4CC4)nc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1
InChIInChI=1S/C25H26N8S/c1-14-4-3-7-26-23(14)24-28-19-10-21(27-11-20(19)34-24)30-22-9-18(15-5-6-15)29-25(31-22)33-13-16-8-17(33)12-32(16)2/h3-4,7,9-11,15-17H,5-6,8,12-13H2,1-2H3,(H,27,29,30,31)/t16-,17-/m0/s1
InChIKeyYSHCJUALEVANAH-IRXDYDNUSA-N
XLogP4.37
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-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-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170726179) is N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cccnc1-c1nc2cc(Nc3cc(C4CC4)nc(N4C[C@@H]5C[C@H]4CN5C)n3)ncc2s1.
What is the InChIKey of N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is YSHCJUALEVANAH-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H26N8S/c1-14-4-3-7-26-23(14)24-28-19-10-21(27-11-20(19)34-24)30-22-9-18(15-5-6-15)29-25(31-22)33-13-16-8-17(33)12-32(16)2/h3-4,7,9-11,15-17H,5-6,8,12-13H2,1-2H3,(H,27,29,30,31)/t16-,17-/m0/s1.
What are the key properties of N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 470.61 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170726179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).