(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

About (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 165016975) has the molecular formula C58H74BClN10O6S2 and a molecular weight of 1117.69 g/mol. Its IUPAC name is (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name	(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID	165016975
Molecular Formula	C58H74BClN10O6S2
Molecular Weight	1117.69 g/mol
Exact Mass	1116.50
IUPAC Name	(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILES	CC1(C)OB(c2cncs2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cncs4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1
InChI	InChI=1S/C26H31N5O2S.C23H29ClN4O2.C9H14BNO2S/c1-3-19-6-7-31(16-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-34-24)29-25(13-20)30-8-10-33-11-9-30;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,28,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);5-6H,1-4H3/t19-;17-;/m11./s1
InChIKey	KOOJHAJDTGQACU-YDWYHRNYSA-N
XLogP	11.53
TPSA	159.64 Å²
H-Bond Donors	2
H-Bond Acceptors	14
Rotatable Bonds	10
Heavy Atoms	78
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.69
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The IUPAC name of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 165016975) is (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

What is the SMILES notation for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The canonical SMILES for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is CC1(C)OB(c2cncs2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cncs4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.

What is the InChIKey of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

The InChIKey is KOOJHAJDTGQACU-YDWYHRNYSA-N. The full InChI is InChI=1S/C26H31N5O2S.C23H29ClN4O2.C9H14BNO2S/c1-3-19-6-7-31(16-19)26(32)28-21-5-4-18(2)22(14-21)20-12-23(24-15-27-17-34-24)29-25(13-20)30-8-10-33-11-9-30;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7/h4-5,12-15,17,19H,3,6-11,16H2,1-2H3,(H,28,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);5-6H,1-4H3/t19-;17-;/m11./s1.

What are the key properties of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?

Where does this data come from?

All data for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(1,3-thiazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 165016975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).