6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C19H21N7O2 — CID 138679597

IUPAC6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1c(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cn2)cnn1C
InChIInChI=1S/C19H21N7O2/c1-11(2)26-17-15(10-22-26)18(27)24(4)19(23-17)28-13-6-7-16(20-8-13)14-9-21-25(5)12(14)3/h6-11H,1-5H3
InChIKeyFPNSAXJQAWUTGK-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.61
Rot. Bonds4

About 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one

6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138679597) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138679597
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1c(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cn2)cnn1C
InChIInChI=1S/C19H21N7O2/c1-11(2)26-17-15(10-22-26)18(27)24(4)19(23-17)28-13-6-7-16(20-8-13)14-9-21-25(5)12(14)3/h6-11H,1-5H3
InChIKeyFPNSAXJQAWUTGK-UHFFFAOYSA-N
XLogP2.61
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(1-ethyl-5-methylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679383
6-[4-(1-tert-butylpyrazol-4-yl)phenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679557
6-[4-(1,2-dimethylimidazol-4-yl)-2-fluorophenoxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679439
6-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 138679351
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
6-(2,5-dimethylfuran-3-yl)-N-(2-methoxy-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55795053
11-[(4-methoxyphenyl)methyl]-12-methyl-6-propan-2-yl-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 118956522
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
6-(2,5-dimethylfuran-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55595224
(4-cyanophenyl) 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 16590545
(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 46570445

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 138679597) is 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is Cc1c(-c2ccc(Oc3nc4c(cnn4C(C)C)c(=O)n3C)cn2)cnn1C.
What is the InChIKey of 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FPNSAXJQAWUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11(2)26-17-15(10-22-26)18(27)24(4)19(23-17)28-13-6-7-16(20-8-13)14-9-21-25(5)12(14)3/h6-11H,1-5H3.
What are the key properties of 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 379.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]oxy]-5-methyl-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).