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

C26H29N7OS — CID 174225726

IUPACN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(OC(C)c4ccccc4)sc3cn2)n1
InChIInChI=1S/C26H29N7OS/c1-4-32-14-20-11-19(32)15-33(20)25-28-16(2)10-24(31-25)30-23-12-21-22(13-27-23)35-26(29-21)34-17(3)18-8-6-5-7-9-18/h5-10,12-13,17,19-20H,4,11,14-15H2,1-3H3,(H,27,28,30,31)/t17?,19-,20-/m0/s1
InChIKeyRZVHHKIFYMFCSO-MFUMQWNRSA-N
MW487.63 g/mol
LogP4.96
Rot. Bonds7

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

N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 174225726) has the molecular formula C26H29N7OS and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID174225726
Molecular FormulaC26H29N7OS
Molecular Weight487.63 g/mol
Exact Mass487.22
IUPAC NameN-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(OC(C)c4ccccc4)sc3cn2)n1
InChIInChI=1S/C26H29N7OS/c1-4-32-14-20-11-19(32)15-33(20)25-28-16(2)10-24(31-25)30-23-12-21-22(13-27-23)35-26(29-21)34-17(3)18-8-6-5-7-9-18/h5-10,12-13,17,19-20H,4,11,14-15H2,1-3H3,(H,27,28,30,31)/t17?,19-,20-/m0/s1
InChIKeyRZVHHKIFYMFCSO-MFUMQWNRSA-N
XLogP4.96
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-pyridin-3-yloxy-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725624
2-[3-(cyclopropyloxymethyl)phenyl]-N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725457
(2,2-dimethylpyrrolidin-1-yl)-[3-[6-[[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]methanone
CID 170725435
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726251
3-[6-[[2-[(1S,4S)-5-[2-(2-hydroxyethoxy)ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
CID 171430553
2-[(1S,4S)-5-[4-[[2-[2-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]-6-methylpyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 171430533
2-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725322
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-pyrazolo[1,5-a]pyridin-5-yl-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726122
2-[2,4-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]propan-2-ol
CID 170725622
N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 170725522
2-[(1S,4S)-5-[4-[[2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]-6-methylpyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 170725504
[3-[6-[[2-[(1S,4S)-5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]phenyl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 170725867

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 174225726) is N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine is CCN1C[C@@H]2C[C@H]1CN2c1nc(C)cc(Nc2cc3nc(OC(C)c4ccccc4)sc3cn2)n1.
What is the InChIKey of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is RZVHHKIFYMFCSO-MFUMQWNRSA-N. The full InChI is InChI=1S/C26H29N7OS/c1-4-32-14-20-11-19(32)15-33(20)25-28-16(2)10-24(31-25)30-23-12-21-22(13-27-23)35-26(29-21)34-17(3)18-8-6-5-7-9-18/h5-10,12-13,17,19-20H,4,11,14-15H2,1-3H3,(H,27,28,30,31)/t17?,19-,20-/m0/s1.
What are the key properties of N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 487.63 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-yl]-2-(1-phenylethoxy)-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 174225726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).