bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene — IUPAC name, SMILES, InChIKey & properties

Name: bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene

bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene (PubChem CID 159577956) has the molecular formula C79H77Br2Cl2F7N20O13S and a molecular weight of 1910.38 g/mol. Its IUPAC name is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name	bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene
PubChem CID	159577956
Molecular Formula	C79H77Br2Cl2F7N20O13S
Molecular Weight	1910.38 g/mol
Exact Mass	1906.33
IUPAC Name	bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene
SMILES	CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2F)cc1.Fc1cccnc1F.N.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O.O=c1[nH]cccc1Br.O=c1c(Br)cccn1-c1ncccc1F
InChI	InChI=1S/C16H19ClFN5O3.C13H15ClN4O4.C10H6BrFN2O.2C10H8FN3O.C10H11FO2S.C5H4BrNO.C5H3F2N.H3N/c1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-2-6-14(10(7)15)9-8(12)4-1-5-13-9;211-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-7-2-4-8(5-3-7)14(12,13)10-6-9(10)11;6-4-2-1-3-7-5(4)8;6-4-2-1-3-8-5(4)7;/h6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);1-6H;21-6H,12H2;2-5,9-10H,6H2,1H3;1-3H,(H,7,8);1-3H;1H3/t9-,10+;;;;;9-,10+;;;/m0....0.../s1
InChIKey	WCLMDHWTJSENDU-QVVVVQAZSA-N
XLogP	13.63
TPSA	457.46 Å²
H-Bond Donors	6
H-Bond Acceptors	28
Rotatable Bonds	10
Heavy Atoms	124
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.38
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene?

The IUPAC name of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene (CID 159577956) is bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene.

What is the SMILES notation for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene?

The canonical SMILES for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2F)cc1.Fc1cccnc1F.N.Nc1cccn(-c2ncccc2F)c1=O.Nc1cccn(-c2ncccc2F)c1=O.O=c1[nH]cccc1Br.O=c1c(Br)cccn1-c1ncccc1F.

What is the InChIKey of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene?

The InChIKey is WCLMDHWTJSENDU-QVVVVQAZSA-N. The full InChI is InChI=1S/C16H19ClFN5O3.C13H15ClN4O4.C10H6BrFN2O.2C10H8FN3O.C10H11FO2S.C5H4BrNO.C5H3F2N.H3N/c1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-2-6-14(10(7)15)9-8(12)4-1-5-13-9;2*11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-7-2-4-8(5-3-7)14(12,13)10-6-9(10)11;6-4-2-1-3-7-5(4)8;6-4-2-1-3-8-5(4)7;/h6-7,9-10H,5H2,1-4H3,(H,20,24);5-6H,1-4H3,(H,19,20);1-6H;2*1-6H,12H2;2-5,9-10H,6H2,1H3;1-3H,(H,7,8);1-3H;1H3/t9-,10+;;;;;9-,10+;;;/m0....0.../s1.

What are the key properties of bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene?

Where does this data come from?

All data for bis(3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one);azane;3-bromo-1-(3-fluoro-2-pyridinyl)pyridin-2-one;3-bromo-1H-pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,3-difluoropyridine;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 159577956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).