4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide

C20H22N6O2S — CID 118184676

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2csc(C)n2)cn1
InChIInChI=1S/C20H22N6O2S/c1-13-10-19-25(8-3-9-26(19)24-13)20(28)7-6-18(27)23-17-5-4-15(11-21-17)16-12-29-14(2)22-16/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,23,27)
InChIKeyNSUQEMUABMAONB-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.17
Rot. Bonds5

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide (PubChem CID 118184676) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
PubChem CID118184676
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2csc(C)n2)cn1
InChIInChI=1S/C20H22N6O2S/c1-13-10-19-25(8-3-9-26(19)24-13)20(28)7-6-18(27)23-17-5-4-15(11-21-17)16-12-29-14(2)22-16/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,23,27)
InChIKeyNSUQEMUABMAONB-UHFFFAOYSA-N
XLogP3.17
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide with MolForge

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Related Compounds

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-[5-[5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]butanamide
CID 147599883
5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 161423168
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
CID 146949848
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 67987735
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
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N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 67987743
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide (CID 118184676) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(-c2csc(C)n2)cn1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide?
The InChIKey is NSUQEMUABMAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-13-10-19-25(8-3-9-26(19)24-13)20(28)7-6-18(27)23-17-5-4-15(11-21-17)16-12-29-14(2)22-16/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,23,27).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide has a molecular weight of 410.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide is sourced from PubChem (CID 118184676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).