6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N7O4 — CID 55831189

IUPAC6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H25N7O4/c1-12-14(13(2)28-21(25-12)15(10-24-28)20(22)31)8-9-18(29)26-27-19(30)11-23-16-6-4-5-7-17(16)32-3/h4-7,10,23H,8-9,11H2,1-3H3,(H2,22,31)(H,26,29)(H,27,30)
InChIKeyLVJPEXSUFHFIHV-UHFFFAOYSA-N
MW439.48 g/mol
LogP0.65
Rot. Bonds8

About 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55831189) has the molecular formula C21H25N7O4 and a molecular weight of 439.48 g/mol. Its IUPAC name is 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55831189
Molecular FormulaC21H25N7O4
Molecular Weight439.48 g/mol
Exact Mass439.20
IUPAC Name6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NCC(=O)NNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H25N7O4/c1-12-14(13(2)28-21(25-12)15(10-24-28)20(22)31)8-9-18(29)26-27-19(30)11-23-16-6-4-5-7-17(16)32-3/h4-7,10,23H,8-9,11H2,1-3H3,(H2,22,31)(H,26,29)(H,27,30)
InChIKeyLVJPEXSUFHFIHV-UHFFFAOYSA-N
XLogP0.65
TPSA152.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736269
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-(2-iodoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737352
6-[3-(4-methoxy-3-methylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87032399
6-[3-[2-[4-(4-chloro-2-methylphenoxy)butanoyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820910
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 48504059
5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55872175
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922
6-[3-(2,4-dibromoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736270
6-[3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126770486
6-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55871588

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55831189) is 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1NCC(=O)NNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.
What is the InChIKey of 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LVJPEXSUFHFIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4/c1-12-14(13(2)28-21(25-12)15(10-24-28)20(22)31)8-9-18(29)26-27-19(30)11-23-16-6-4-5-7-17(16)32-3/h4-7,10,23H,8-9,11H2,1-3H3,(H2,22,31)(H,26,29)(H,27,30).
What are the key properties of 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 0.65, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[2-(2-methoxyanilino)acetyl]hydrazinyl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55831189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).