Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C₂₆H₃₀F₂N₆O₄ — CID 161418063

About Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 161418063) has the molecular formula C₂₆H₃₀F₂N₆O₄ and a molecular weight of 528.56 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 161418063
• Molecular Formula: C₂₆H₃₀F₂N₆O₄
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.23
• IUPAC Name: tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12
• InChI: InChI=1S/C26H30F2N6O4/c1-25(2,3)38-24(36)33(4)21-11-20(31-18-6-5-9-29-23(18)37-16-7-8-16)32-22-17(14-30-34(21)22)19(35)10-15-12-26(27,28)13-15/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32)
• InChIKey: QIDUTDIPIKXHTI-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 161418063) is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.

What is the InChIKey of Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is QIDUTDIPIKXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4/c1-25(2,3)38-24(36)33(4)21-11-20(31-18-6-5-9-29-23(18)37-16-7-8-16)32-22-17(14-30-34(21)22)19(35)10-15-12-26(27,28)13-15/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32).

What are the key properties of Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 528.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 161418063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161418063 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.