4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H32F3N7O — CID 67954715

IUPAC4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC(C)(C)C)CC3)c21
InChIInChI=1S/C23H32F3N7O/c1-14-11-17(34)31-19-18(14)21(28-13-27-19)32-8-5-15(6-9-32)20-30-16(23(24,25)26)12-33(20)10-7-29-22(2,3)4/h12-15,29H,5-11H2,1-4H3,(H,27,28,31,34)
InChIKeyYIYVOQAJKLLYGI-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.91
Rot. Bonds5

About 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954715) has the molecular formula C23H32F3N7O and a molecular weight of 479.55 g/mol. Its IUPAC name is 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67954715
Molecular FormulaC23H32F3N7O
Molecular Weight479.55 g/mol
Exact Mass479.26
IUPAC Name4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC(C)(C)C)CC3)c21
InChIInChI=1S/C23H32F3N7O/c1-14-11-17(34)31-19-18(14)21(28-13-27-19)32-8-5-15(6-9-32)20-30-16(23(24,25)26)12-33(20)10-7-29-22(2,3)4/h12-15,29H,5-11H2,1-4H3,(H,27,28,31,34)
InChIKeyYIYVOQAJKLLYGI-UHFFFAOYSA-N
XLogP3.91
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954715) is 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC(C)(C)C)CC3)c21.
What is the InChIKey of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YIYVOQAJKLLYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N7O/c1-14-11-17(34)31-19-18(14)21(28-13-27-19)32-8-5-15(6-9-32)20-30-16(23(24,25)26)12-33(20)10-7-29-22(2,3)4/h12-15,29H,5-11H2,1-4H3,(H,27,28,31,34).
What are the key properties of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 479.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(tert-butylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).