2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one

C24H27N5O2 — CID 59374109

IUPAC2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-17(2)24(30)29-15-10-18(11-16-29)22-23(27-14-13-26-22)31-20-8-6-19(7-9-20)28-21-5-3-4-12-25-21/h3-9,12-14,17-18H,10-11,15-16H2,1-2H3,(H,25,28)
InChIKeyVRNXSNGKGWFHNQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.77
Rot. Bonds6

About 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 59374109) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID59374109
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-17(2)24(30)29-15-10-18(11-16-29)22-23(27-14-13-26-22)31-20-8-6-19(7-9-20)28-21-5-3-4-12-25-21/h3-9,12-14,17-18H,10-11,15-16H2,1-2H3,(H,25,28)
InChIKeyVRNXSNGKGWFHNQ-UHFFFAOYSA-N
XLogP4.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 59374109) is 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is VRNXSNGKGWFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(2)24(30)29-15-10-18(11-16-29)22-23(27-14-13-26-22)31-20-8-6-19(7-9-20)28-21-5-3-4-12-25-21/h3-9,12-14,17-18H,10-11,15-16H2,1-2H3,(H,25,28).
What are the key properties of 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 417.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 59374109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).