N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C93H94F6N28O10 — CID 167590982

About N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167590982) has the molecular formula C93H94F6N28O10 and a molecular weight of 1877.95 g/mol. Its IUPAC name is N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167590982
• Molecular Formula: C93H94F6N28O10
• Molecular Weight: 1877.95 g/mol
• Exact Mass: 1876.76
• IUPAC Name: N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCC4(C3)OCCO4)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
• InChI: InChI=1S/C27H31N7O4.3C22H21F2N7O2/c1-28-23-12-21(31-25-18(14-30-34(23)25)26(35)32-20-5-6-22(20)36-2)19-15-33(24-17(19)4-3-9-29-24)16-7-8-27(13-16)37-10-11-38-27;3*1-25-18-7-16(15-9-30(12-10-33-11-12)19-13(15)3-2-6-26-19)28-20-14(8-27-31(18)20)21(32)29-17-4-5-22(17,23)24/h3-4,9,12,14-16,20,22,28H,5-8,10-11,13H2,1-2H3,(H,32,35);3*2-3,6-9,12,17,25H,4-5,10-11H2,1H3,(H,29,32)/t16-,20?,22+;2*17-;/m110./s1
• InChIKey: IKWWCRJYWRXYQC-KGHVSYAZSA-N
• XLogP: 11.82
• TPSA: 411.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.95
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167590982) is N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)NC3CCC3(F)F)cnn12.CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)N[C@@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn(C3COC3)c3ncccc23)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.CNc1cc(-c2cn([C@@H]3CCC4(C3)OCCO4)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.

What is the InChIKey of N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IKWWCRJYWRXYQC-KGHVSYAZSA-N. The full InChI is InChI=1S/C27H31N7O4.3C22H21F2N7O2/c1-28-23-12-21(31-25-18(14-30-34(23)25)26(35)32-20-5-6-22(20)36-2)19-15-33(24-17(19)4-3-9-29-24)16-7-8-27(13-16)37-10-11-38-27;3*1-25-18-7-16(15-9-30(12-10-33-11-12)19-13(15)3-2-6-26-19)28-20-14(8-27-31(18)20)21(32)29-17-4-5-22(17,23)24/h3-4,9,12,14-16,20,22,28H,5-8,10-11,13H2,1-2H3,(H,32,35);3*2-3,6-9,12,17,25H,4-5,10-11H2,1H3,(H,29,32)/t16-,20?,22+;2*17-;/m110./s1.

What are the key properties of N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1877.95 g/mol, XLogP of 11.82, 21 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[1-[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167590982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).