tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane

C79H94ClF3N24O10Sn — CID 159205183

About tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane

tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane (PubChem CID 159205183) has the molecular formula C79H94ClF3N24O10Sn and a molecular weight of 1750.94 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
• PubChem CID: 159205183
• Molecular Formula: C79H94ClF3N24O10Sn
• Molecular Weight: 1750.94 g/mol
• Exact Mass: 1750.62
• IUPAC Name: tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(-c2nn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CNc1cc(-c2nn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.C[Sn](C)(C)c1nn(C2CCOCC2)c2ncccc12
• InChI: InChI=1S/C27H31FN8O4.C22H23FN8O2.C16H19ClFN5O3.C11H12N3O.3CH3.Sn/c1-27(2,3)40-26(38)34(4)21-13-20(31-24-17(14-30-36(21)24)25(37)32-19-12-18(19)28)22-16-6-5-9-29-23(16)35(33-22)15-7-10-39-11-8-15;1-24-18-10-17(27-21-14(11-26-31(18)21)22(32)28-16-9-15(16)23)19-13-3-2-6-25-20(13)30(29-19)12-4-7-33-8-5-12;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-2-9-8-13-14(11(9)12-5-1)10-3-6-15-7-4-10;;;;/h5-6,9,13-15,18-19H,7-8,10-12H2,1-4H3,(H,32,37);2-3,6,10-12,15-16,24H,4-5,7-9H2,1H3,(H,28,32);6-7,9-10H,5H2,1-4H3,(H,20,24);1-2,5,10H,3-4,6-7H2;3*1H3;/t18-,19+;15-,16+;9-,10+;;;;;/m000...../s1
• InChIKey: KPUCXAPBDLNSAL-UBDVAVCKSA-N
• XLogP: 11.00
• TPSA: 368.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.94
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?

The IUPAC name of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane (CID 159205183) is tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane.

What is the SMILES notation for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?

The canonical SMILES for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane is CN(C(=O)OC(C)(C)C)c1cc(-c2nn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CNc1cc(-c2nn(C3CCOCC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.C[Sn](C)(C)c1nn(C2CCOCC2)c2ncccc12.

What is the InChIKey of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?

The InChIKey is KPUCXAPBDLNSAL-UBDVAVCKSA-N. The full InChI is InChI=1S/C27H31FN8O4.C22H23FN8O2.C16H19ClFN5O3.C11H12N3O.3CH3.Sn/c1-27(2,3)40-26(38)34(4)21-13-20(31-24-17(14-30-36(21)24)25(37)32-19-12-18(19)28)22-16-6-5-9-29-23(16)35(33-22)15-7-10-39-11-8-15;1-24-18-10-17(27-21-14(11-26-31(18)21)22(32)28-16-9-15(16)23)19-13-3-2-6-25-20(13)30(29-19)12-4-7-33-8-5-12;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-2-9-8-13-14(11(9)12-5-1)10-3-6-15-7-4-10;;;;/h5-6,9,13-15,18-19H,7-8,10-12H2,1-4H3,(H,32,37);2-3,6,10-12,15-16,24H,4-5,7-9H2,1H3,(H,28,32);6-7,9-10H,5H2,1-4H3,(H,20,24);1-2,5,10H,3-4,6-7H2;3*1H3;/t18-,19+;15-,16+;9-,10+;;;;;/m000...../s1.

What are the key properties of tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane?

tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane has a molecular weight of 1750.94 g/mol, XLogP of 11.00, 15 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trimethyl-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]stannane is sourced from PubChem (CID 159205183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).