2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide

C19H19N7O3 — CID 136604648

IUPAC2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)c1
InChIInChI=1S/C19H19N7O3/c1-11-7-15(21-16(27)9-12-5-4-6-13(8-12)29-3)26(24-11)19-22-17-14(18(28)23-19)10-20-25(17)2/h4-8,10H,9H2,1-3H3,(H,21,27)(H,22,23,28)
InChIKeyTVJZXBCLSOWSGW-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.34
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide

2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 136604648) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
PubChem CID136604648
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)c1
InChIInChI=1S/C19H19N7O3/c1-11-7-15(21-16(27)9-12-5-4-6-13(8-12)29-3)26(24-11)19-22-17-14(18(28)23-19)10-20-25(17)2/h4-8,10H,9H2,1-3H3,(H,21,27)(H,22,23,28)
InChIKeyTVJZXBCLSOWSGW-UHFFFAOYSA-N
XLogP1.34
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethoxyphenoxy)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604608
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604664
2-(4-fluorophenyl)sulfanyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604647
3-chloro-2,2-dimethyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]propanamide
CID 136604558
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 136604596
2-(3,4-dimethoxyphenyl)-N-[2-[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide
CID 136604286
4-ethoxy-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604567
2-chloro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604575
2-(2,4-dichlorophenoxy)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604602
2-(4-ethoxyphenyl)-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136603930
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-phenoxyacetamide
CID 135880839
3,4-difluoro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604674

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide (CID 136604648) is 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide is COc1cccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide?
The InChIKey is TVJZXBCLSOWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-11-7-15(21-16(27)9-12-5-4-6-13(8-12)29-3)26(24-11)19-22-17-14(18(28)23-19)10-20-25(17)2/h4-8,10H,9H2,1-3H3,(H,21,27)(H,22,23,28).
What are the key properties of 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide?
2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 136604648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).