7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one

C25H26N4O3 — CID 171620708

IUPAC7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(C(C)(C)O)cn3)ncc12
InChIInChI=1S/C25H26N4O3/c1-15-21-14-27-29(22-11-8-18(13-26-22)25(3,4)31)24(30)28(21)16(2)23(15)17-6-5-7-20(12-17)32-19-9-10-19/h5-8,11-14,19,31H,9-10H2,1-4H3
InChIKeyRCYUUNQRRCEATJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.93
Rot. Bonds5

About 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one

7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 171620708) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID171620708
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(C(C)(C)O)cn3)ncc12
InChIInChI=1S/C25H26N4O3/c1-15-21-14-27-29(22-11-8-18(13-26-22)25(3,4)31)24(30)28(21)16(2)23(15)17-6-5-7-20(12-17)32-19-9-10-19/h5-8,11-14,19,31H,9-10H2,1-4H3
InChIKeyRCYUUNQRRCEATJ-UHFFFAOYSA-N
XLogP3.93
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 171620708) is 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one is Cc1c(-c2cccc(OC3CC3)c2)c(C)n2c(=O)n(-c3ccc(C(C)(C)O)cn3)ncc12.
What is the InChIKey of 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is RCYUUNQRRCEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-21-14-27-29(22-11-8-18(13-26-22)25(3,4)31)24(30)28(21)16(2)23(15)17-6-5-7-20(12-17)32-19-9-10-19/h5-8,11-14,19,31H,9-10H2,1-4H3.
What are the key properties of 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one?
7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 430.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopropyloxyphenyl)-3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 171620708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).