(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C26H26N6O3 — CID 136916813

IUPAC(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC(C)C)n2)cc1
InChIInChI=1S/C26H26N6O3/c1-15(2)35-22-8-6-5-7-19(22)20-13-23(33)29-25-24(20)16(3)31-32(25)26-28-21(14-27-30-26)17-9-11-18(34-4)12-10-17/h5-12,14-15,20H,13H2,1-4H3,(H,29,33)/t20-/m0/s1
InChIKeyULUWXWKTHGIOCT-FQEVSTJZSA-N
MW470.53 g/mol
LogP4.30
Rot. Bonds6

About (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136916813) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136916813
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC(C)C)n2)cc1
InChIInChI=1S/C26H26N6O3/c1-15(2)35-22-8-6-5-7-19(22)20-13-23(33)29-25-24(20)16(3)31-32(25)26-28-21(14-27-30-26)17-9-11-18(34-4)12-10-17/h5-12,14-15,20H,13H2,1-4H3,(H,29,33)/t20-/m0/s1
InChIKeyULUWXWKTHGIOCT-FQEVSTJZSA-N
XLogP4.30
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916788
4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135823759
(4R)-4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916827
4-(2,5-difluorophenyl)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594574
4-(2-fluorophenyl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594766
(4R)-3-methyl-4-(2-methylphenyl)-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916658
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546811
(4S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916842
(4S)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-(3-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917166
4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594598
(4S)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916970
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594646

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136916813) is (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC(C)C)n2)cc1.
What is the InChIKey of (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ULUWXWKTHGIOCT-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-15(2)35-22-8-6-5-7-19(22)20-13-23(33)29-25-24(20)16(3)31-32(25)26-28-21(14-27-30-26)17-9-11-18(34-4)12-10-17/h5-12,14-15,20H,13H2,1-4H3,(H,29,33)/t20-/m0/s1.
What are the key properties of (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 470.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136916813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).