N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158466832) has the molecular formula C137H127ClF19N29O12 and a molecular weight of 2768.13 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID	158466832
Molecular Formula	C137H127ClF19N29O12
Molecular Weight	2768.13 g/mol
Exact Mass	2765.96
IUPAC Name	N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILES	CC1(C)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CC1(F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1
InChI	InChI=1S/C24H23F3N4O2.3C23H22F3N5O2.C22H19ClF3N5O2.C22H19F4N5O2/c1-23(2)9-10-31(14-23)21-8-3-16(11-20(21)17-12-28-15-29-13-17)22(32)30-18-4-6-19(7-5-18)33-24(25,26)27;31-22(2)7-8-31(13-22)20-19(16-10-27-14-28-11-16)9-15(12-29-20)21(32)30-17-3-5-18(6-4-17)33-23(24,25)26;1-21(24)6-7-31(12-21)19-18(15-9-27-13-28-10-15)8-14(11-29-19)20(32)30-16-2-4-17(5-3-16)33-22(23,25)26;1-21(23)6-7-31(12-21)19-18(15-9-27-13-28-10-15)8-14(11-29-19)20(32)30-16-2-4-17(5-3-16)33-22(24,25)26/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,30,32);33-6,9-12,14H,7-8,13H2,1-2H3,(H,30,32);2*2-5,8-11,13H,6-7,12H2,1H3,(H,30,32)
InChIKey	HFVXWKQZAUWGFZ-UHFFFAOYSA-N
XLogP	29.83
TPSA	468.55 Å²
H-Bond Donors	6
H-Bond Acceptors	35
Rotatable Bonds	31
Heavy Atoms	198
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2768.13
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 158466832) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC1(C)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(C)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.CC1(F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CC1(F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is HFVXWKQZAUWGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2.3C23H22F3N5O2.C22H19ClF3N5O2.C22H19F4N5O2/c1-23(2)9-10-31(14-23)21-8-3-16(11-20(21)17-12-28-15-29-13-17)22(32)30-18-4-6-19(7-5-18)33-24(25,26)27;3*1-22(2)7-8-31(13-22)20-19(16-10-27-14-28-11-16)9-15(12-29-20)21(32)30-17-3-5-18(6-4-17)33-23(24,25)26;1-21(24)6-7-31(12-21)19-18(15-9-27-13-28-10-15)8-14(11-29-19)20(32)30-16-2-4-17(5-3-16)33-22(23,25)26;1-21(23)6-7-31(12-21)19-18(15-9-27-13-28-10-15)8-14(11-29-19)20(32)30-16-2-4-17(5-3-16)33-22(24,25)26/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,30,32);3*3-6,9-12,14H,7-8,13H2,1-2H3,(H,30,32);2*2-5,8-11,13H,6-7,12H2,1H3,(H,30,32).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158466832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).