4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide

C24H20F3N5O3 — CID 155009093

IUPAC4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide
SMILESCOc1cc(-c2cnc(Nc3ccc(C(=O)NC4CC4C(F)(F)F)cc3OC)nc2)ccc1C#N
InChIInChI=1S/C24H20F3N5O3/c1-34-20-7-13(3-4-15(20)10-28)16-11-29-23(30-12-16)32-18-6-5-14(8-21(18)35-2)22(33)31-19-9-17(19)24(25,26)27/h3-8,11-12,17,19H,9H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyQBFHKVRJXIDHEV-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.46
Rot. Bonds7

About 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide

4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 155009093) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID155009093
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide
SMILESCOc1cc(-c2cnc(Nc3ccc(C(=O)NC4CC4C(F)(F)F)cc3OC)nc2)ccc1C#N
InChIInChI=1S/C24H20F3N5O3/c1-34-20-7-13(3-4-15(20)10-28)16-11-29-23(30-12-16)32-18-6-5-14(8-21(18)35-2)22(33)31-19-9-17(19)24(25,26)27/h3-8,11-12,17,19H,9H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyQBFHKVRJXIDHEV-UHFFFAOYSA-N
XLogP4.46
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide with MolForge

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Related Compounds

[2-cyano-5-[2-[2-methoxy-4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]anilino]pyrimidin-5-yl]phenyl] hypoiodite
CID 155008970
4-[[5-[4-cyano-3-[1-(1,2,4-triazol-1-yl)propan-2-yloxy]phenyl]pyrimidin-2-yl]amino]-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide
CID 146305325
4-[[5-[4-cyano-3-[1-(1,2,4-triazol-1-yl)propan-2-yloxy]phenyl]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 146304971
butyl 3-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-4-methoxybenzoate
CID 146320867
4-[[5-cyano-4-(methylamino)pyrimidin-2-yl]amino]-N-(3-fluorocyclobutyl)-3-methoxybenzamide
CID 58539119
2-methoxy-4-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-5-yl]benzonitrile
CID 155008944
4-[2-[2-methoxy-4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]-2-[1-(1,2,4-triazol-1-yl)propan-2-yloxy]benzonitrile
CID 146304910
4-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2-methoxyanilino]pyrimidin-5-yl]-2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxybenzonitrile
CID 146305447
4-[2-[2-methoxy-4-(3-methoxyazetidine-1-carbonyl)anilino]pyrimidin-5-yl]-2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxybenzonitrile
CID 146305243
4-[2-[4-[3-(hydroxymethyl)azetidine-1-carbonyl]-2-methoxyanilino]pyrimidin-5-yl]-2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxybenzonitrile
CID 146304879
4-[[5-[4-cyano-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]amino]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 146305395
4-[2-[4-[3-(difluoromethoxy)azetidine-1-carbonyl]-2-methoxyanilino]pyrimidin-5-yl]-2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxybenzonitrile
CID 146304939

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide (CID 155009093) is 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide is COc1cc(-c2cnc(Nc3ccc(C(=O)NC4CC4C(F)(F)F)cc3OC)nc2)ccc1C#N.
What is the InChIKey of 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is QBFHKVRJXIDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-34-20-7-13(3-4-15(20)10-28)16-11-29-23(30-12-16)32-18-6-5-14(8-21(18)35-2)22(33)31-19-9-17(19)24(25,26)27/h3-8,11-12,17,19H,9H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide?
4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 483.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-cyano-3-methoxyphenyl)pyrimidin-2-yl]amino]-3-methoxy-N-[2-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 155009093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).