N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28FN7O3 — CID 146560359

About N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560359) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560359
• Molecular Formula: C23H28FN7O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.22
• IUPAC Name: N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@@H]3CCCC[C@@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
• InChI: InChI=1S/C23H28FN7O3/c1-25-20-11-19(27-16-5-4-10-30(23(16)34)17-6-2-3-7-18(17)32)29-21-13(12-26-31(20)21)22(33)28-15-9-8-14(15)24/h4-5,10-12,14-15,17-18,25,32H,2-3,6-9H2,1H3,(H,27,29)(H,28,33)/t14-,15-,17+,18-/m0/s1
• InChIKey: GDFKKNJYNUPWMA-ONIAQPFYSA-N
• XLogP: 2.38
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560359) is N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCCC[C@@H]3O)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12.

What is the InChIKey of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GDFKKNJYNUPWMA-ONIAQPFYSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-25-20-11-19(27-16-5-4-10-30(23(16)34)17-6-2-3-7-18(17)32)29-21-13(12-26-31(20)21)22(33)28-15-9-8-14(15)24/h4-5,10-12,14-15,17-18,25,32H,2-3,6-9H2,1H3,(H,27,29)(H,28,33)/t14-,15-,17+,18-/m0/s1.

What are the key properties of N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).