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

C22H25F2N7O3 — CID 137450103

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

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450103) has the molecular formula C22H25F2N7O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450103
• Molecular Formula: C22H25F2N7O3
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.20
• IUPAC Name: 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](O)C3)cnn12
• InChI: InChI=1S/C22H25F2N7O3/c1-25-18-8-17(28-16-3-2-6-30(21(16)34)13-9-22(23,24)10-13)29-19-15(11-26-31(18)19)20(33)27-12-4-5-14(32)7-12/h2-3,6,8,11-14,25,32H,4-5,7,9-10H2,1H3,(H,27,33)(H,28,29)/t12-,14-/m1/s1
• InChIKey: FULURILSRFMPFC-TZMCWYRMSA-N
• XLogP: 2.29
• 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	473.48
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450103) is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](O)C3)cnn12.

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

The InChIKey is FULURILSRFMPFC-TZMCWYRMSA-N. The full InChI is InChI=1S/C22H25F2N7O3/c1-25-18-8-17(28-16-3-2-6-30(21(16)34)13-9-22(23,24)10-13)29-19-15(11-26-31(18)19)20(33)27-12-4-5-14(32)7-12/h2-3,6,8,11-14,25,32H,4-5,7,9-10H2,1H3,(H,27,33)(H,28,29)/t12-,14-/m1/s1.

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

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).