1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

C22H21N5O2S — CID 58206932

IUPAC1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCc1nc(-c2ccc(C(=O)Cc3cc(N4CCOCC4)n4nccc4n3)cc2)cs1
InChIInChI=1S/C22H21N5O2S/c1-15-24-19(14-30-15)16-2-4-17(5-3-16)20(28)12-18-13-22(26-8-10-29-11-9-26)27-21(25-18)6-7-23-27/h2-7,13-14H,8-12H2,1H3
InChIKeyCEOHJVJDNJQYHH-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.42
Rot. Bonds5

About 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (PubChem CID 58206932) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
PubChem CID58206932
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCc1nc(-c2ccc(C(=O)Cc3cc(N4CCOCC4)n4nccc4n3)cc2)cs1
InChIInChI=1S/C22H21N5O2S/c1-15-24-19(14-30-15)16-2-4-17(5-3-16)20(28)12-18-13-22(26-8-10-29-11-9-26)27-21(25-18)6-7-23-27/h2-7,13-14H,8-12H2,1H3
InChIKeyCEOHJVJDNJQYHH-UHFFFAOYSA-N
XLogP3.42
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
CID 58207276
1-(1H-indol-6-yl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206964
2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-pyridin-2-ylethanone
CID 58207077
4-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbaldehyde
CID 58206908
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207030
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103
1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-pyridin-2-ylpentan-2-one
CID 58207353
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-thiophen-2-ylbenzamide
CID 67064569
4-morpholin-4-yl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064614
1-(4-tert-butylphenyl)-2-[7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207043
3-methyl-N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67064544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (CID 58206932) is 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is Cc1nc(-c2ccc(C(=O)Cc3cc(N4CCOCC4)n4nccc4n3)cc2)cs1.
What is the InChIKey of 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The InChIKey is CEOHJVJDNJQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-15-24-19(14-30-15)16-2-4-17(5-3-16)20(28)12-18-13-22(26-8-10-29-11-9-26)27-21(25-18)6-7-23-27/h2-7,13-14H,8-12H2,1H3.
What are the key properties of 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone has a molecular weight of 419.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 58206932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).