6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine

C22H23ClN6OS — CID 127041841

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1
InChIInChI=1S/C22H23ClN6OS/c1-12-20(23)26-22(27-21(12)24-10-19-13(2)25-14(3)31-19)30-11-15-8-17(15)18-9-16-6-4-5-7-29(16)28-18/h4-7,9,15,17H,8,10-11H2,1-3H3,(H,24,26,27)
InChIKeyAOIAZTJBMMPHQA-UHFFFAOYSA-N
MW454.99 g/mol
LogP4.95
Rot. Bonds7

About 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine (PubChem CID 127041841) has the molecular formula C22H23ClN6OS and a molecular weight of 454.99 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
PubChem CID127041841
Molecular FormulaC22H23ClN6OS
Molecular Weight454.99 g/mol
Exact Mass454.13
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1
InChIInChI=1S/C22H23ClN6OS/c1-12-20(23)26-22(27-21(12)24-10-19-13(2)25-14(3)31-19)30-11-15-8-17(15)18-9-16-6-4-5-7-29(16)28-18/h4-7,9,15,17H,8,10-11H2,1-3H3,(H,24,26,27)
InChIKeyAOIAZTJBMMPHQA-UHFFFAOYSA-N
XLogP4.95
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-quinolin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 56949351
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 86766620
6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 86766622
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
CID 122192119
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127041888
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(4-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127042526
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 89633452
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanyl-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 56949355
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 56949357
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 56963094
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 127038242
6-[2-[[4-Chloro-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-5-methylpyrimidin-2-yl]oxymethyl]cyclopropyl]pyridine-3-carbonitrile
CID 127038575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine (CID 127041841) is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine is Cc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1.
What is the InChIKey of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The InChIKey is AOIAZTJBMMPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6OS/c1-12-20(23)26-22(27-21(12)24-10-19-13(2)25-14(3)31-19)30-11-15-8-17(15)18-9-16-6-4-5-7-29(16)28-18/h4-7,9,15,17H,8,10-11H2,1-3H3,(H,24,26,27).
What are the key properties of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine?
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine has a molecular weight of 454.99 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 127041841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).