1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one

C28H34N4O2 — CID 25057383

IUPAC1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one
SMILESCC(Oc1ccn(-c2ccc3c(cnn3CCN(C(C)C)C(C)C)c2)c(=O)c1)c1ccccc1
InChIInChI=1S/C28H34N4O2/c1-20(2)30(21(3)4)15-16-32-27-12-11-25(17-24(27)19-29-32)31-14-13-26(18-28(31)33)34-22(5)23-9-7-6-8-10-23/h6-14,17-22H,15-16H2,1-5H3
InChIKeyKDCAUEIPTUWLBI-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.45
Rot. Bonds9

About 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one

1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one (PubChem CID 25057383) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one
PubChem CID25057383
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one
SMILESCC(Oc1ccn(-c2ccc3c(cnn3CCN(C(C)C)C(C)C)c2)c(=O)c1)c1ccccc1
InChIInChI=1S/C28H34N4O2/c1-20(2)30(21(3)4)15-16-32-27-12-11-25(17-24(27)19-29-32)31-14-13-26(18-28(31)33)34-22(5)23-9-7-6-8-10-23/h6-14,17-22H,15-16H2,1-5H3
InChIKeyKDCAUEIPTUWLBI-UHFFFAOYSA-N
XLogP5.45
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one?
The IUPAC name of 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one (CID 25057383) is 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one?
The canonical SMILES for 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one is CC(Oc1ccn(-c2ccc3c(cnn3CCN(C(C)C)C(C)C)c2)c(=O)c1)c1ccccc1.
What is the InChIKey of 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one?
The InChIKey is KDCAUEIPTUWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20(2)30(21(3)4)15-16-32-27-12-11-25(17-24(27)19-29-32)31-14-13-26(18-28(31)33)34-22(5)23-9-7-6-8-10-23/h6-14,17-22H,15-16H2,1-5H3.
What are the key properties of 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one?
1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one has a molecular weight of 458.61 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[di(propan-2-yl)amino]ethyl]indazol-5-yl]-4-(1-phenylethoxy)pyridin-2-one is sourced from PubChem (CID 25057383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).