(2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine

C85H93Cl7F5N21O5 — CID 159797173

About (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine

(2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine (PubChem CID 159797173) has the molecular formula C85H93Cl7F5N21O5 and a molecular weight of 1831.98 g/mol. Its IUPAC name is (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine
• PubChem CID: 159797173
• Molecular Formula: C85H93Cl7F5N21O5
• Molecular Weight: 1831.98 g/mol
• Exact Mass: 1827.54
• IUPAC Name: (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2ccn(C3CCNCC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn([C@H](C)C(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CNCCn1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl
• InChI: InChI=1S/C24H29Cl2FN6O2.C21H22Cl2FN5O.C21H22ClF2N5O.C19H20Cl2FN5O/c1-14(24(34)29-8-5-9-32(3)4)33-13-17(12-31-33)16-10-20(23(28)30-11-16)35-15(2)21-18(25)6-7-19(27)22(21)26;1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14;1-12(19-16(23)2-3-17(24)20(19)22)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-11(17-14(20)3-4-15(22)18(17)21)28-16-7-12(8-25-19(16)23)13-9-26-27(10-13)6-5-24-2/h6-7,10-15H,5,8-9H2,1-4H3,(H2,28,30)(H,29,34);2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);3-4,7-11,24H,5-6H2,1-2H3,(H2,23,25)/t14-,15?;;12-;/m1.1./s1
• InChIKey: NJHZWHDHHPOKMY-DTCZPLDHSA-N
• XLogP: 18.64
• TPSA: 332.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.98
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine?

The IUPAC name of (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine (CID 159797173) is (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine.

What is the SMILES notation for (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine?

The canonical SMILES for (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine is CC(Oc1cc(-c2ccn(C3CCNCC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn([C@H](C)C(=O)NCCCN(C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CNCCn1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(F)ccc(F)c1Cl.

What is the InChIKey of (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine?

The InChIKey is NJHZWHDHHPOKMY-DTCZPLDHSA-N. The full InChI is InChI=1S/C24H29Cl2FN6O2.C21H22Cl2FN5O.C21H22ClF2N5O.C19H20Cl2FN5O/c1-14(24(34)29-8-5-9-32(3)4)33-13-17(12-31-33)16-10-20(23(28)30-11-16)35-15(2)21-18(25)6-7-19(27)22(21)26;1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14;1-12(19-16(23)2-3-17(24)20(19)22)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-11(17-14(20)3-4-15(22)18(17)21)28-16-7-12(8-25-19(16)23)13-9-26-27(10-13)6-5-24-2/h6-7,10-15H,5,8-9H2,1-4H3,(H2,28,30)(H,29,34);2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27);2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);3-4,7-11,24H,5-6H2,1-2H3,(H2,23,25)/t14-,15?;;12-;/m1.1./s1.

What are the key properties of (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine?

(2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 1831.98 g/mol, XLogP of 18.64, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide;3-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 159797173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).