4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

C23H23N5O2 — CID 67064309

IUPAC4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)cn1
InChIInChI=1S/C23H23N5O2/c1-23(2,3)17-8-5-15(6-9-17)22(29)27-19-13-18(28-20(26-19)11-12-25-28)16-7-10-21(30-4)24-14-16/h5-14H,1-4H3,(H,26,27,29)
InChIKeyZDHYFYMUKGVPEL-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.35
Rot. Bonds4

About 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide

4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (PubChem CID 67064309) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
PubChem CID67064309
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)cn1
InChIInChI=1S/C23H23N5O2/c1-23(2,3)17-8-5-15(6-9-17)22(29)27-19-13-18(28-20(26-19)11-12-25-28)16-7-10-21(30-4)24-14-16/h5-14H,1-4H3,(H,26,27,29)
InChIKeyZDHYFYMUKGVPEL-UHFFFAOYSA-N
XLogP4.35
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide (CID 67064309) is 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccnn23)cn1.
What is the InChIKey of 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
The InChIKey is ZDHYFYMUKGVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,3)17-8-5-15(6-9-17)22(29)27-19-13-18(28-20(26-19)11-12-25-28)16-7-10-21(30-4)24-14-16/h5-14H,1-4H3,(H,26,27,29).
What are the key properties of 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide?
4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[7-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 67064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).