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

C22H30F3N7O — CID 67954480

IUPAC5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1
InChIInChI=1S/C22H30F3N7O/c1-13(2)26-6-9-32-11-16(22(23,24)25)29-20(32)15-4-7-31(8-5-15)21-18-14(3)10-17(33)30-19(18)27-12-28-21/h11-15,26H,4-10H2,1-3H3,(H,27,28,30,33)
InChIKeyGJNOCOIEPZQGLW-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.52
Rot. Bonds6

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

5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954480) has the molecular formula C22H30F3N7O and a molecular weight of 465.52 g/mol. Its IUPAC name is 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67954480
Molecular FormulaC22H30F3N7O
Molecular Weight465.52 g/mol
Exact Mass465.25
IUPAC Name5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1
InChIInChI=1S/C22H30F3N7O/c1-13(2)26-6-9-32-11-16(22(23,24)25)29-20(32)15-4-7-31(8-5-15)21-18-14(3)10-17(33)30-19(18)27-12-28-21/h11-15,26H,4-10H2,1-3H3,(H,27,28,30,33)
InChIKeyGJNOCOIEPZQGLW-UHFFFAOYSA-N
XLogP3.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954480) is 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1.
What is the InChIKey of 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GJNOCOIEPZQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N7O/c1-13(2)26-6-9-32-11-16(22(23,24)25)29-20(32)15-4-7-31(8-5-15)21-18-14(3)10-17(33)30-19(18)27-12-28-21/h11-15,26H,4-10H2,1-3H3,(H,27,28,30,33).
What are the key properties of 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 465.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).