(E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide

C124H114F12N24O5 — CID 167559663

About (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide

(E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide (PubChem CID 167559663) has the molecular formula C124H114F12N24O5 and a molecular weight of 2248.41 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide
• PubChem CID: 167559663
• Molecular Formula: C124H114F12N24O5
• Molecular Weight: 2248.41 g/mol
• Exact Mass: 2246.92
• IUPAC Name: (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide
• SMILES: CC(C)(C)NC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.CCNC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.CNC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.C[C@@H](Nc1ccc2n[nH]c(/C=C/C(=O)N3CC[C@H](O)C3)c2c1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.C[C@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
• InChI: InChI=1S/C22H22F2N4O2.2C22H18F2N4.C21H22F2N4O.C19H18F2N4O.C18H16F2N4O/c1-13(14-8-15(23)10-16(24)9-14)25-17-2-3-20-19(11-17)21(27-26-20)4-5-22(30)28-7-6-18(29)12-28;2*1-14(15-10-16(23)12-17(24)11-15)26-19-6-8-22-20(13-19)21(27-28-22)7-5-18-4-2-3-9-25-18;1-21(2,3)25-20(28)7-6-19-17-11-16(4-5-18(17)26-27-19)24-12-13-8-14(22)10-15(23)9-13;1-2-22-19(26)6-5-18-16-10-15(3-4-17(16)24-25-18)23-11-12-7-13(20)9-14(21)8-12;1-21-18(25)5-4-17-15-9-14(2-3-16(15)23-24-17)22-10-11-6-12(19)8-13(20)7-11/h2-5,8-11,13,18,25,29H,6-7,12H2,1H3,(H,26,27);2*2-14,26H,1H3,(H,27,28);4-11,24H,12H2,1-3H3,(H,25,28)(H,26,27);3-10,23H,2,11H2,1H3,(H,22,26)(H,24,25);2-9,22H,10H2,1H3,(H,21,25)(H,23,24)/b5-4+;2*7-5+;7-6+;6-5+;5-4+/t13-,18+;2*14-;;;/m110.../s1
• InChIKey: DMCZBSAMJREZAV-NHZAGNHESA-N
• XLogP: 25.98
• TPSA: 397.88 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.41
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide?

The IUPAC name of (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide (CID 167559663) is (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide.

What is the SMILES notation for (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide?

The canonical SMILES for (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide is CC(C)(C)NC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.CCNC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.CNC(=O)/C=C/c1[nH]nc2ccc(NCc3cc(F)cc(F)c3)cc12.C[C@@H](Nc1ccc2n[nH]c(/C=C/C(=O)N3CC[C@H](O)C3)c2c1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.C[C@H](Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.

What is the InChIKey of (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide?

The InChIKey is DMCZBSAMJREZAV-NHZAGNHESA-N. The full InChI is InChI=1S/C22H22F2N4O2.2C22H18F2N4.C21H22F2N4O.C19H18F2N4O.C18H16F2N4O/c1-13(14-8-15(23)10-16(24)9-14)25-17-2-3-20-19(11-17)21(27-26-20)4-5-22(30)28-7-6-18(29)12-28;2*1-14(15-10-16(23)12-17(24)11-15)26-19-6-8-22-20(13-19)21(27-28-22)7-5-18-4-2-3-9-25-18;1-21(2,3)25-20(28)7-6-19-17-11-16(4-5-18(17)26-27-19)24-12-13-8-14(22)10-15(23)9-13;1-2-22-19(26)6-5-18-16-10-15(3-4-17(16)24-25-18)23-11-12-7-13(20)9-14(21)8-12;1-21-18(25)5-4-17-15-9-14(2-3-16(15)23-24-17)22-10-11-6-12(19)8-13(20)7-11/h2-5,8-11,13,18,25,29H,6-7,12H2,1H3,(H,26,27);2*2-14,26H,1H3,(H,27,28);4-11,24H,12H2,1-3H3,(H,25,28)(H,26,27);3-10,23H,2,11H2,1H3,(H,22,26)(H,24,25);2-9,22H,10H2,1H3,(H,21,25)(H,23,24)/b5-4+;2*7-5+;7-6+;6-5+;5-4+/t13-,18+;2*14-;;;/m110.../s1.

What are the key properties of (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide?

(E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide has a molecular weight of 2248.41 g/mol, XLogP of 25.98, 31 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-tert-butyl-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]prop-2-enamide;(E)-3-[5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-2H-indazol-3-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one;N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-ethylprop-2-enamide;(E)-3-[5-[(3,5-difluorophenyl)methylamino]-2H-indazol-3-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 167559663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).