5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine

C24H30FN7O — CID 90964170

IUPAC5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCCCC5)nc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C24H30FN7O/c1-16-11-17(7-10-33-16)23-27-14-21(30-23)22-20(25)13-28-24(31-22)29-18-5-6-19(26-12-18)15-32-8-3-2-4-9-32/h5-6,12-14,16-17H,2-4,7-11,15H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyMNNTYGDPDGRQOX-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.41
Rot. Bonds6

About 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine

5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 90964170) has the molecular formula C24H30FN7O and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID90964170
Molecular FormulaC24H30FN7O
Molecular Weight451.55 g/mol
Exact Mass451.25
IUPAC Name5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCCCC5)nc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C24H30FN7O/c1-16-11-17(7-10-33-16)23-27-14-21(30-23)22-20(25)13-28-24(31-22)29-18-5-6-19(26-12-18)15-32-8-3-2-4-9-32/h5-6,12-14,16-17H,2-4,7-11,15H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyMNNTYGDPDGRQOX-UHFFFAOYSA-N
XLogP4.41
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine (CID 90964170) is 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine is CC1CC(c2ncc(-c3nc(Nc4ccc(CN5CCCCC5)nc4)ncc3F)[nH]2)CCO1.
What is the InChIKey of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is MNNTYGDPDGRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O/c1-16-11-17(7-10-33-16)23-27-14-21(30-23)22-20(25)13-28-24(31-22)29-18-5-6-19(26-12-18)15-32-8-3-2-4-9-32/h5-6,12-14,16-17H,2-4,7-11,15H2,1H3,(H,27,30)(H,28,29,31).
What are the key properties of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine?
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 451.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 90964170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).