2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H23N7O2 — CID 139349505

IUPAC2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nc(C)cc2n1
InChIInChI=1S/C22H23N7O2/c1-14-7-18(29-19(24-14)8-15(2)27-29)21(30)25-17-6-4-5-16(9-17)22(11-31-12-22)10-20-26-23-13-28(20)3/h4-9,13H,10-12H2,1-3H3,(H,25,30)
InChIKeyKUBQINWNFNLCCF-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.24
Rot. Bonds5

About 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 139349505) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID139349505
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nc(C)cc2n1
InChIInChI=1S/C22H23N7O2/c1-14-7-18(29-19(24-14)8-15(2)27-29)21(30)25-17-6-4-5-16(9-17)22(11-31-12-22)10-20-26-23-13-28(20)3/h4-9,13H,10-12H2,1-3H3,(H,25,30)
InChIKeyKUBQINWNFNLCCF-UHFFFAOYSA-N
XLogP2.24
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

2-Cyclopropyl-6-methyl-N-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-pyrimidinecarboxamide
CID 139350084
Cbl-b-IN-1
CID 139360969
1-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145982815
1-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145984970
6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 155190798
1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165414907
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
3-[[2-[3-(6-Methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetyl]amino]benzamide
CID 90656207
N-[3-[[4-amino-3-(5-formyl-1-methylpyrazol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
CID 155530972
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139349623
4-cyclopropyl-2-[3-[3-[difluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 139349634
2-cyclopropyl-N-[3-[3-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139349644

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 139349505) is 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KUBQINWNFNLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-14-7-18(29-19(24-14)8-15(2)27-29)21(30)25-17-6-4-5-16(9-17)22(11-31-12-22)10-20-26-23-13-28(20)3/h4-9,13H,10-12H2,1-3H3,(H,25,30).
What are the key properties of 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 139349505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).