N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F2N7O2 — CID 146572671

About N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146572671) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146572671
• Molecular Formula: C20H23F2N7O2
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.19
• IUPAC Name: N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(NC2=CC=CN([C@H]3C[C@@H]3F)C2O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
• InChI: InChI=1S/C20H23F2N7O2/c1-23-17-8-16(25-14-3-2-6-28(20(14)31)15-7-12(15)22)27-18-10(9-24-29(17)18)19(30)26-13-5-4-11(13)21/h2-3,6,8-9,11-13,15,20,23,31H,4-5,7H2,1H3,(H,25,27)(H,26,30)/t11-,12-,13?,15-,20?/m0/s1
• InChIKey: PJPXJDABYCVSMR-SKBLNUNPSA-N
• XLogP: 1.56
• TPSA: 106.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146572671) is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2=CC=CN([C@H]3C[C@@H]3F)C2O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12.

What is the InChIKey of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PJPXJDABYCVSMR-SKBLNUNPSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-23-17-8-16(25-14-3-2-6-28(20(14)31)15-7-12(15)22)27-18-10(9-24-29(17)18)19(30)26-13-5-4-11(13)21/h2-3,6,8-9,11-13,15,20,23,31H,4-5,7H2,1H3,(H,25,27)(H,26,30)/t11-,12-,13?,15-,20?/m0/s1.

What are the key properties of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-hydroxy-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146572671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).