N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C96H108N28O16 — CID 167631690

About N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167631690) has the molecular formula C96H108N28O16 and a molecular weight of 1910.10 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167631690
• Molecular Formula: C96H108N28O16
• Molecular Weight: 1910.10 g/mol
• Exact Mass: 1908.85
• IUPAC Name: N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn([C@@H]3COC[C@H]3OC)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3COC[C@H]3OC)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ncccc23)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
• InChI: InChI=1S/4C24H27N7O4/c4*1-25-21-8-17(28-23-14(9-27-31(21)23)24(33)29-16-5-6-19(16)32)15-10-30(18-11-35-12-20(18)34-2)22-13(15)4-3-7-26-22/h4*3-4,7-10,16,18-20,25,32H,5-6,11-12H2,1-2H3,(H,29,33)/t16?,18-,19+,20-;16-,18+,19+,20+;2*16-,18-,19+,20-/m0010/s1
• InChIKey: NWWGTYVPVJQIRO-QHCZBIPYSA-N
• XLogP: 6.51
• TPSA: 511.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.10
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167631690) is N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3COC[C@H]3OC)c3ncccc23)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.CNc1cc(-c2cn([C@@H]3COC[C@H]3OC)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ncccc23)nc2c(C(=O)NC3CC[C@H]3O)cnn12.CNc1cc(-c2cn([C@H]3COC[C@@H]3OC)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.

What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NWWGTYVPVJQIRO-QHCZBIPYSA-N. The full InChI is InChI=1S/4C24H27N7O4/c4*1-25-21-8-17(28-23-14(9-27-31(21)23)24(33)29-16-5-6-19(16)32)15-10-30(18-11-35-12-20(18)34-2)22-13(15)4-3-7-26-22/h4*3-4,7-10,16,18-20,25,32H,5-6,11-12H2,1-2H3,(H,29,33)/t16?,18-,19+,20-;16-,18+,19+,20+;2*16-,18-,19+,20-/m0010/s1.

What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1910.10 g/mol, XLogP of 6.51, 24 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167631690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).