N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide

C16H17N5O3 — CID 135982356

IUPACN-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3c(c(C)nn3C)c(=O)[nH]2)c1
InChIInChI=1S/C16H17N5O3/c1-9-12-14(21(2)20-9)18-13(19-15(12)22)16(23)17-8-10-5-4-6-11(7-10)24-3/h4-7H,8H2,1-3H3,(H,17,23)(H,18,19,22)
InChIKeySNZDISBOFDJZQE-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.90
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide

N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide (PubChem CID 135982356) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
PubChem CID135982356
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3c(c(C)nn3C)c(=O)[nH]2)c1
InChIInChI=1S/C16H17N5O3/c1-9-12-14(21(2)20-9)18-13(19-15(12)22)16(23)17-8-10-5-4-6-11(7-10)24-3/h4-7H,8H2,1-3H3,(H,17,23)(H,18,19,22)
InChIKeySNZDISBOFDJZQE-UHFFFAOYSA-N
XLogP0.90
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
Gunagratinib
CID 138734912
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
5-amino-N-(4-fluorobenzyl)-1-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 5307817
6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419269
3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-ethyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419318
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
6-(5-Dimethylamino-2-propoxy-phenyl)-1-ethyl-3-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462289
1-Benzyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135462319

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide (CID 135982356) is N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide is COc1cccc(CNC(=O)c2nc3c(c(C)nn3C)c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide?
The InChIKey is SNZDISBOFDJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9-12-14(21(2)20-9)18-13(19-15(12)22)16(23)17-8-10-5-4-6-11(7-10)24-3/h4-7H,8H2,1-3H3,(H,17,23)(H,18,19,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).