N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide

C81H78N22O9S — CID 161287870

About N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide

N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide (PubChem CID 161287870) has the molecular formula C81H78N22O9S and a molecular weight of 1535.73 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide
• PubChem CID: 161287870
• Molecular Formula: C81H78N22O9S
• Molecular Weight: 1535.73 g/mol
• Exact Mass: 1534.60
• IUPAC Name: N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide
• SMILES: O=C(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1.O=C(Nc1cc(N2CCC[C@@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.O=C(Nc1cc(N2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1
• InChI: InChI=1S/C21H17N5O2.2C20H22N6O2.C20H17N5O3S/c27-21(16-7-4-10-25(28)13-16)24-19-11-18(15-5-2-1-3-6-15)23-20-17(14-8-9-14)12-22-26(19)20;2*27-12-15-4-2-8-25(15)17-9-18(24-20(28)14-3-1-7-21-10-14)26-19(23-17)16(11-22-26)13-5-6-13;26-24-10-4-7-16(13-24)29(27,28)23-19-11-18(15-5-2-1-3-6-15)22-20-17(14-8-9-14)12-21-25(19)20/h1-7,10-14H,8-9H2,(H,24,27);2*1,3,7,9-11,13,15,27H,2,4-6,8,12H2,(H,24,28);1-7,10-14,23H,8-9H2/t;2*15-;/m.10./s1
• InChIKey: VFYOWUXMPNJQCL-NMAMMXOQSA-N
• XLogP: 10.30
• TPSA: 380.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1535.73
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide?

The IUPAC name of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide (CID 161287870) is N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide.

What is the SMILES notation for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide?

The canonical SMILES for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide is O=C(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1.O=C(Nc1cc(N2CCC[C@@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.O=C(Nc1cc(N2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.O=S(=O)(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1ccc[n+]([O-])c1.

What is the InChIKey of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide?

The InChIKey is VFYOWUXMPNJQCL-NMAMMXOQSA-N. The full InChI is InChI=1S/C21H17N5O2.2C20H22N6O2.C20H17N5O3S/c27-21(16-7-4-10-25(28)13-16)24-19-11-18(15-5-2-1-3-6-15)23-20-17(14-8-9-14)12-22-26(19)20;2*27-12-15-4-2-8-25(15)17-9-18(24-20(28)14-3-1-7-21-10-14)26-19(23-17)16(11-22-26)13-5-6-13;26-24-10-4-7-16(13-24)29(27,28)23-19-11-18(15-5-2-1-3-6-15)22-20-17(14-8-9-14)12-21-25(19)20/h1-7,10-14H,8-9H2,(H,24,27);2*1,3,7,9-11,13,15,27H,2,4-6,8,12H2,(H,24,28);1-7,10-14,23H,8-9H2/t;2*15-;/m.10./s1.

What are the key properties of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide?

N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide has a molecular weight of 1535.73 g/mol, XLogP of 10.30, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-[3-cyclopropyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 161287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).