4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide

C25H28F4N8O — CID 89450717

IUPAC4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1
InChIInChI=1S/C25H28F4N8O/c26-18-2-1-15(11-17(18)25(27,28)29)19-12-37(16-3-7-32-8-4-16)23(35-19)14-5-9-36(10-6-14)24-20(22(31)38)21(30)33-13-34-24/h1-2,11-14,16,32H,3-10H2,(H2,31,38)(H2,30,33,34)
InChIKeyWGAZQGSVJXMVOV-UHFFFAOYSA-N
MW532.55 g/mol
LogP3.49
Rot. Bonds5

About 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide

4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 89450717) has the molecular formula C25H28F4N8O and a molecular weight of 532.55 g/mol. Its IUPAC name is 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID89450717
Molecular FormulaC25H28F4N8O
Molecular Weight532.55 g/mol
Exact Mass532.23
IUPAC Name4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1
InChIInChI=1S/C25H28F4N8O/c26-18-2-1-15(11-17(18)25(27,28)29)19-12-37(16-3-7-32-8-4-16)23(35-19)14-5-9-36(10-6-14)24-20(22(31)38)21(30)33-13-34-24/h1-2,11-14,16,32H,3-10H2,(H2,31,38)(H2,30,33,34)
InChIKeyWGAZQGSVJXMVOV-UHFFFAOYSA-N
XLogP3.49
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

SB-220025
CID 5164
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187418
4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
CID 89443028
2-(2,6-Difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341404
(3R,4R)-1-{6-[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16202920

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 89450717) is 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide is NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1.
What is the InChIKey of 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is WGAZQGSVJXMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N8O/c26-18-2-1-15(11-17(18)25(27,28)29)19-12-37(16-3-7-32-8-4-16)23(35-19)14-5-9-36(10-6-14)24-20(22(31)38)21(30)33-13-34-24/h1-2,11-14,16,32H,3-10H2,(H2,31,38)(H2,30,33,34).
What are the key properties of 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 532.55 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 89450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).