2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide

C25H28F3N7O — CID 155682203

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C25H28F3N7O/c1-14(2)20-10-18(11-21(33-20)15-5-7-16(8-6-15)25(26,27)28)32-23-19(22(30)36)12-31-24(34-23)35-9-3-4-17(29)13-35/h5-8,10-12,14,17H,3-4,9,13,29H2,1-2H3,(H2,30,36)(H,31,32,33,34)/t17-/m0/s1
InChIKeyZIUCRKYAUZMUKM-KRWDZBQOSA-N
MW499.54 g/mol
LogP4.45
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide (PubChem CID 155682203) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide
PubChem CID155682203
Molecular FormulaC25H28F3N7O
Molecular Weight499.54 g/mol
Exact Mass499.23
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C25H28F3N7O/c1-14(2)20-10-18(11-21(33-20)15-5-7-16(8-6-15)25(26,27)28)32-23-19(22(30)36)12-31-24(34-23)35-9-3-4-17(29)13-35/h5-8,10-12,14,17H,3-4,9,13,29H2,1-2H3,(H2,30,36)(H,31,32,33,34)/t17-/m0/s1
InChIKeyZIUCRKYAUZMUKM-KRWDZBQOSA-N
XLogP4.45
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 152615306
2-(3-aminopiperidin-1-yl)-4-[[2-(1,1-dioxothian-4-yl)-6-propan-2-yl-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 175075145
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(methylsulfamoyl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 160692564
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-pyrrolidin-1-ylsulfonyl-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 155682263
[1-[5-carbamoyl-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate
CID 175078836
2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
CID 150859577
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-tert-butyl-5-(1-hydroxypropyl)anilino]pyrimidine-5-carboxamide
CID 155682210
tert-butyl N-[(3S)-1-[5-carbamoyl-4-[(2-piperidin-1-yl-6-propan-2-yl-4-pyridinyl)amino]pyrimidin-2-yl]piperidin-3-yl]carbamate
CID 155682294
2-[(3S)-3-aminopiperidin-1-yl]-4-[(2-oxo-7-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-5-yl)amino]pyrimidine-5-carboxamide
CID 150749193
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(morpholine-4-carbonyl)-5-phenylanilino]pyrimidine-5-carboxamide
CID 150126446
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-[(3S,5R)-3,5-dimethylmorpholine-4-carbonyl]anilino]pyrimidine-5-carboxamide;hydrochloride
CID 155682141
tert-butyl N-[(3S)-1-[5-carbamoyl-4-[3-(4-methoxyphenyl)-5-propan-2-ylanilino]pyrimidin-2-yl]piperidin-3-yl]carbamate
CID 151669601

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide (CID 155682203) is 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide is CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide?
The InChIKey is ZIUCRKYAUZMUKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28F3N7O/c1-14(2)20-10-18(11-21(33-20)15-5-7-16(8-6-15)25(26,27)28)32-23-19(22(30)36)12-31-24(34-23)35-9-3-4-17(29)13-35/h5-8,10-12,14,17H,3-4,9,13,29H2,1-2H3,(H2,30,36)(H,31,32,33,34)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-[[2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155682203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).