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

C23H23N7O2 — CID 139350120

IUPAC5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccnn34)c2)COC1
InChIInChI=1S/C23H23N7O2/c1-29-14-24-28-21(29)11-23(12-32-13-23)16-3-2-4-17(9-16)26-22(31)19-10-18(15-5-6-15)27-20-7-8-25-30(19)20/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,26,31)
InChIKeyDZWOWXFWFJSUFS-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.50
Rot. Bonds6

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

5-cyclopropyl-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 139350120) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-cyclopropyl-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 Name5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID139350120
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccnn34)c2)COC1
InChIInChI=1S/C23H23N7O2/c1-29-14-24-28-21(29)11-23(12-32-13-23)16-3-2-4-17(9-16)26-22(31)19-10-18(15-5-6-15)27-20-7-8-25-30(19)20/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,26,31)
InChIKeyDZWOWXFWFJSUFS-UHFFFAOYSA-N
XLogP2.50
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-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 5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 139350120) is 5-cyclopropyl-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 5-cyclopropyl-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 5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(C4CC4)nc4ccnn34)c2)COC1.
What is the InChIKey of 5-cyclopropyl-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 DZWOWXFWFJSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-29-14-24-28-21(29)11-23(12-32-13-23)16-3-2-4-17(9-16)26-22(31)19-10-18(15-5-6-15)27-20-7-8-25-30(19)20/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,26,31).
What are the key properties of 5-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-cyclopropyl-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 429.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-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 139350120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).