9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine

C80H76ClF3N12O9 — CID 159304720

IUPAC9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3cc4ccccn4n3)CCCCC2)cc1.Nc1cc2ccccn2n1.O=C(Cl)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21.O=C(Nc1cc2ccccn2n1)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23FN4O3.C26H29FN4O3.C20H17ClFNO3.C7H7N3/c28-17-13-24(26(33)29-25-14-18-7-5-6-12-32(18)30-25)31(15-17)27(34)35-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23;1-34-21-10-8-18(9-11-21)26(12-4-2-5-13-26)25(33)30-17-19(27)15-22(30)24(32)28-23-16-20-7-3-6-14-31(20)29-23;21-19(24)18-9-12(22)10-23(18)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;8-7-5-6-3-1-2-4-10(6)9-7/h1-12,14,17,23-24H,13,15-16H2,(H,29,30,33);3,6-11,14,16,19,22H,2,4-5,12-13,15,17H2,1H3,(H,28,29,32);1-8,12,17-18H,9-11H2;1-5H,(H2,8,9)/t17-,24-;19-,22-;12-,18-;/m111./s1
InChIKeyLBTVHRLFHAIJDE-MWKWGLMPSA-N
MW1442.01 g/mol
LogP13.79
Rot. Bonds12

About 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine

9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 159304720) has the molecular formula C80H76ClF3N12O9 and a molecular weight of 1442.01 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine
PubChem CID159304720
Molecular FormulaC80H76ClF3N12O9
Molecular Weight1442.01 g/mol
Exact Mass1440.55
IUPAC Name9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3cc4ccccn4n3)CCCCC2)cc1.Nc1cc2ccccn2n1.O=C(Cl)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21.O=C(Nc1cc2ccccn2n1)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23FN4O3.C26H29FN4O3.C20H17ClFNO3.C7H7N3/c28-17-13-24(26(33)29-25-14-18-7-5-6-12-32(18)30-25)31(15-17)27(34)35-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23;1-34-21-10-8-18(9-11-21)26(12-4-2-5-13-26)25(33)30-17-19(27)15-22(30)24(32)28-23-16-20-7-3-6-14-31(20)29-23;21-19(24)18-9-12(22)10-23(18)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;8-7-5-6-3-1-2-4-10(6)9-7/h1-12,14,17,23-24H,13,15-16H2,(H,29,30,33);3,6-11,14,16,19,22H,2,4-5,12-13,15,17H2,1H3,(H,28,29,32);1-8,12,17-18H,9-11H2;1-5H,(H2,8,9)/t17-,24-;19-,22-;12-,18-;/m111./s1
InChIKeyLBTVHRLFHAIJDE-MWKWGLMPSA-N
XLogP13.79
TPSA241.81 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.01
LogP ≤ 513.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine (CID 159304720) is 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3cc4ccccn4n3)CCCCC2)cc1.Nc1cc2ccccn2n1.O=C(Cl)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21.O=C(Nc1cc2ccccn2n1)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is LBTVHRLFHAIJDE-MWKWGLMPSA-N. The full InChI is InChI=1S/C27H23FN4O3.C26H29FN4O3.C20H17ClFNO3.C7H7N3/c28-17-13-24(26(33)29-25-14-18-7-5-6-12-32(18)30-25)31(15-17)27(34)35-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23;1-34-21-10-8-18(9-11-21)26(12-4-2-5-13-26)25(33)30-17-19(27)15-22(30)24(32)28-23-16-20-7-3-6-14-31(20)29-23;21-19(24)18-9-12(22)10-23(18)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;8-7-5-6-3-1-2-4-10(6)9-7/h1-12,14,17,23-24H,13,15-16H2,(H,29,30,33);3,6-11,14,16,19,22H,2,4-5,12-13,15,17H2,1H3,(H,28,29,32);1-8,12,17-18H,9-11H2;1-5H,(H2,8,9)/t17-,24-;19-,22-;12-,18-;/m111./s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine?
9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 1442.01 g/mol, XLogP of 13.79, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R,4R)-2-carbonochloridoyl-4-fluoropyrrolidine-1-carboxylate;9H-fluoren-9-ylmethyl (2R,4R)-4-fluoro-2-(pyrazolo[1,5-a]pyridin-2-ylcarbamoyl)pyrrolidine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-pyrazolo[1,5-a]pyridin-2-ylpyrrolidine-2-carboxamide;pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 159304720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).