Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone

C₇₃H₈₃ClF₆N₁₈O₁₀ — CID 161418061

About Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone

Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone (PubChem CID 161418061) has the molecular formula C₇₃H₈₃ClF₆N₁₈O₁₀ and a molecular weight of 1522.02 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

• Compound Name: Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone
• PubChem CID: 161418061
• Molecular Formula: C₇₃H₈₃ClF₆N₁₈O₁₀
• Molecular Weight: 1522.02 g/mol
• Exact Mass: 1520.61
• IUPAC Name: tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.Nc1cccnc1OC1CC1
• InChI: InChI=1S/C26H30F2N6O4.C21H22F2N6O2.C18H21ClF2N4O3.C8H10N2O/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;1-24-18-8-17(27-15-3-2-6-25-20(15)31-13-4-5-13)28-19-14(11-26-29(18)19)16(30)7-12-9-21(22,23)10-12;1-17(2,3)28-16(27)24(4)14-6-13(19)23-15-11(9-22-25(14)15)12(26)5-10-7-18(20,21)8-10;9-7-2-1-5-10-8(7)11-6-3-4-6/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32);2-3,6,8,11-13,24H,4-5,7,9-10H2,1H3,(H,27,28);6,9-10H,5,7-8H2,1-4H3;1-2,5-6H,3-4,9H2
• InChIKey: VWITUFMHTWOWLI-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 329.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1522.02
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone?

The IUPAC name of Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone (CID 161418061) is tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone.

What is the SMILES notation for Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone?

The canonical SMILES for Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CC3CC(F)(F)C3)cnn12.Nc1cccnc1OC1CC1.

What is the InChIKey of Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone?

The InChIKey is VWITUFMHTWOWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4.C21H22F2N6O2.C18H21ClF2N4O3.C8H10N2O/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;1-24-18-8-17(27-15-3-2-6-25-20(15)31-13-4-5-13)28-19-14(11-26-29(18)19)16(30)7-12-9-21(22,23)10-12;1-17(2,3)28-16(27)24(4)14-6-13(19)23-15-11(9-22-25(14)15)12(26)5-10-7-18(20,21)8-10;9-7-2-1-5-10-8(7)11-6-3-4-6/h5-6,9,11,14-16H,7-8,10,12-13H2,1-4H3,(H,31,32);2-3,6,8,11-13,24H,4-5,7,9-10H2,1H3,(H,27,28);6,9-10H,5,7-8H2,1-4H3;1-2,5-6H,3-4,9H2.

What are the key properties of Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone?

Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone has a molecular weight of 1522.02 g/mol, XLogP of 15.04, 22 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[5-chloro-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;2-cyclopropyloxypyridin-3-amine;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 161418061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161418061 — identifiers, structure, computed properties (public domain)

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