5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C64H71Cl2F6N23O9 — CID 172956882

IUPAC5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(C(=O)NC4CC(F)(F)C4)cc3n2)c1.NNc1cc(N2CCOCC2)n2nc(C(=O)NC3CC(F)(F)C3)cc2n1.O=C(NC1CC(F)(F)C1)c1cc2nc(Cl)cc(N3CCOCC3)n2n1.O=C(O)c1cc2nc(Cl)cc(N3CCOCC3)n2n1
InChIInChI=1S/C23H25F2N7O2.C15H16ClF2N5O2.C15H19F2N7O2.C11H11ClN4O3/c1-15-3-2-4-16(9-15)14-26-29-19-11-21(31-5-7-34-8-6-31)32-20(28-19)10-18(30-32)22(33)27-17-12-23(24,25)13-17;16-11-6-13(22-1-3-25-4-2-22)23-12(20-11)5-10(21-23)14(24)19-9-7-15(17,18)8-9;16-15(17)7-9(8-15)19-14(25)10-5-12-20-11(21-18)6-13(24(12)22-10)23-1-3-26-4-2-23;12-8-6-10(15-1-3-19-4-2-15)16-9(13-8)5-7(14-16)11(17)18/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,27,33)(H,28,29);5-6,9H,1-4,7-8H2,(H,19,24);5-6,9H,1-4,7-8,18H2,(H,19,25)(H,20,21);5-6H,1-4H2,(H,17,18)/b26-14+;;;
InChIKeyCDGNCGUKYVIEJJ-HCGPJZQASA-N
MW1491.32 g/mol
LogP5.89
Rot. Bonds15

About 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 172956882) has the molecular formula C64H71Cl2F6N23O9 and a molecular weight of 1491.32 g/mol. Its IUPAC name is 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID172956882
Molecular FormulaC64H71Cl2F6N23O9
Molecular Weight1491.32 g/mol
Exact Mass1489.51
IUPAC Name5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(C(=O)NC4CC(F)(F)C4)cc3n2)c1.NNc1cc(N2CCOCC2)n2nc(C(=O)NC3CC(F)(F)C3)cc2n1.O=C(NC1CC(F)(F)C1)c1cc2nc(Cl)cc(N3CCOCC3)n2n1.O=C(O)c1cc2nc(Cl)cc(N3CCOCC3)n2n1
InChIInChI=1S/C23H25F2N7O2.C15H16ClF2N5O2.C15H19F2N7O2.C11H11ClN4O3/c1-15-3-2-4-16(9-15)14-26-29-19-11-21(31-5-7-34-8-6-31)32-20(28-19)10-18(30-32)22(33)27-17-12-23(24,25)13-17;16-11-6-13(22-1-3-25-4-2-22)23-12(20-11)5-10(21-23)14(24)19-9-7-15(17,18)8-9;16-15(17)7-9(8-15)19-14(25)10-5-12-20-11(21-18)6-13(24(12)22-10)23-1-3-26-4-2-23;12-8-6-10(15-1-3-19-4-2-15)16-9(13-8)5-7(14-16)11(17)18/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,27,33)(H,28,29);5-6,9H,1-4,7-8H2,(H,19,24);5-6,9H,1-4,7-8,18H2,(H,19,25)(H,20,21);5-6H,1-4H2,(H,17,18)/b26-14+;;;
InChIKeyCDGNCGUKYVIEJJ-HCGPJZQASA-N
XLogP5.89
TPSA357.68 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms104
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001491.32
LogP ≤ 55.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 172956882) is 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(C(=O)NC4CC(F)(F)C4)cc3n2)c1.NNc1cc(N2CCOCC2)n2nc(C(=O)NC3CC(F)(F)C3)cc2n1.O=C(NC1CC(F)(F)C1)c1cc2nc(Cl)cc(N3CCOCC3)n2n1.O=C(O)c1cc2nc(Cl)cc(N3CCOCC3)n2n1.
What is the InChIKey of 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CDGNCGUKYVIEJJ-HCGPJZQASA-N. The full InChI is InChI=1S/C23H25F2N7O2.C15H16ClF2N5O2.C15H19F2N7O2.C11H11ClN4O3/c1-15-3-2-4-16(9-15)14-26-29-19-11-21(31-5-7-34-8-6-31)32-20(28-19)10-18(30-32)22(33)27-17-12-23(24,25)13-17;16-11-6-13(22-1-3-25-4-2-22)23-12(20-11)5-10(21-23)14(24)19-9-7-15(17,18)8-9;16-15(17)7-9(8-15)19-14(25)10-5-12-20-11(21-18)6-13(24(12)22-10)23-1-3-26-4-2-23;12-8-6-10(15-1-3-19-4-2-15)16-9(13-8)5-7(14-16)11(17)18/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,27,33)(H,28,29);5-6,9H,1-4,7-8H2,(H,19,24);5-6,9H,1-4,7-8,18H2,(H,19,25)(H,20,21);5-6H,1-4H2,(H,17,18)/b26-14+;;;.
What are the key properties of 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 1491.32 g/mol, XLogP of 5.89, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-difluorocyclobutyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;N-(3,3-difluorocyclobutyl)-5-hydrazinyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;N-(3,3-difluorocyclobutyl)-5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 172956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).