[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate

C23H27F5N6O4 — CID 175396215

IUPAC[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate
SMILESCc1cnc(Nc2cc(OC(F)(F)F)ccn2)nc1C(=O)N1CC(F)(F)CC[C@@H]1COC(=O)NC(C)(C)C
InChIInChI=1S/C23H27F5N6O4/c1-13-10-30-19(31-16-9-15(6-8-29-16)38-23(26,27)28)32-17(13)18(35)34-12-22(24,25)7-5-14(34)11-37-20(36)33-21(2,3)4/h6,8-10,14H,5,7,11-12H2,1-4H3,(H,33,36)(H,29,30,31,32)/t14-/m1/s1
InChIKeyMWSVVKASAQAUCT-CQSZACIVSA-N
MW546.50 g/mol
LogP4.59
Rot. Bonds6

About [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate

[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 175396215) has the molecular formula C23H27F5N6O4 and a molecular weight of 546.50 g/mol. Its IUPAC name is [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate
PubChem CID175396215
Molecular FormulaC23H27F5N6O4
Molecular Weight546.50 g/mol
Exact Mass546.20
IUPAC Name[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate
SMILESCc1cnc(Nc2cc(OC(F)(F)F)ccn2)nc1C(=O)N1CC(F)(F)CC[C@@H]1COC(=O)NC(C)(C)C
InChIInChI=1S/C23H27F5N6O4/c1-13-10-30-19(31-16-9-15(6-8-29-16)38-23(26,27)28)32-17(13)18(35)34-12-22(24,25)7-5-14(34)11-37-20(36)33-21(2,3)4/h6,8-10,14H,5,7,11-12H2,1-4H3,(H,33,36)(H,29,30,31,32)/t14-/m1/s1
InChIKeyMWSVVKASAQAUCT-CQSZACIVSA-N
XLogP4.59
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-4-carbonyl]piperidin-2-yl]methyl carbamate
CID 175396184
[(2R)-5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396225
[5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methyl carbamate
CID 175396226
[(2S)-2-ethyl-5,5-difluoropiperidin-1-yl]-[3-fluoro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]-2-pyridinyl]methanone
CID 170192188
[(2R)-5,5-difluoro-1-[2-methyl-5-[[4-(trifluoromethoxy)-2-pyridinyl]amino]benzoyl]piperidin-2-yl]methylcarbamic acid
CID 175717505
N-[[1-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 169036173
N-[[1-[6-[(4-cyclobutyloxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 169036164
2-[[6-[(2R)-5,5-difluoro-2-(3-methylbutyl)piperidine-1-carbonyl]-5-methyl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 174049608
ethyl 3-methyl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyridine-2-carboxylate
CID 162721731
[1-(2-bromo-5-methylpyridine-4-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396233
N-[(3R)-1-[6-[[4-(1,1-difluoroethoxy)-2-pyridinyl]amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-3-yl]acetamide
CID 170192168
1-[2-[6-chloro-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 166061265

Frequently Asked Questions

What is the IUPAC name of [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate (CID 175396215) is [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate is Cc1cnc(Nc2cc(OC(F)(F)F)ccn2)nc1C(=O)N1CC(F)(F)CC[C@@H]1COC(=O)NC(C)(C)C.
What is the InChIKey of [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is MWSVVKASAQAUCT-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27F5N6O4/c1-13-10-30-19(31-16-9-15(6-8-29-16)38-23(26,27)28)32-17(13)18(35)34-12-22(24,25)7-5-14(34)11-37-20(36)33-21(2,3)4/h6,8-10,14H,5,7,11-12H2,1-4H3,(H,33,36)(H,29,30,31,32)/t14-/m1/s1.
What are the key properties of [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate?
[(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 546.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5,5-difluoro-1-[5-methyl-2-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidine-4-carbonyl]piperidin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 175396215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).