5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one

C19H25N5O2 — CID 25119154

IUPAC5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1cc(N)ccc1C1=NC2C(C)=NN(C3CCCCC3)C2C(=O)N1
InChIInChI=1S/C19H25N5O2/c1-11-16-17(24(23-11)13-6-4-3-5-7-13)19(25)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13,16-17H,3-7,20H2,1-2H3,(H,21,22,25)
InChIKeyGGHNTXBVTQIVRN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.92
Rot. Bonds3

About 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one

5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 25119154) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID25119154
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1cc(N)ccc1C1=NC2C(C)=NN(C3CCCCC3)C2C(=O)N1
InChIInChI=1S/C19H25N5O2/c1-11-16-17(24(23-11)13-6-4-3-5-7-13)19(25)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13,16-17H,3-7,20H2,1-2H3,(H,21,22,25)
InChIKeyGGHNTXBVTQIVRN-UHFFFAOYSA-N
XLogP1.92
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 107209647
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CID 169263372
3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
CID 104784494
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 143044715
5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
CID 174508815
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044714
3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62928299
3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
CID 141243307
3-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 118888512
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one (CID 25119154) is 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one is COc1cc(N)ccc1C1=NC2C(C)=NN(C3CCCCC3)C2C(=O)N1.
What is the InChIKey of 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is GGHNTXBVTQIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-16-17(24(23-11)13-6-4-3-5-7-13)19(25)22-18(21-16)14-9-8-12(20)10-15(14)26-2/h8-10,13,16-17H,3-7,20H2,1-2H3,(H,21,22,25).
What are the key properties of 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one?
5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 355.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methoxyphenyl)-1-cyclohexyl-3-methyl-6,7a-dihydro-3aH-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 25119154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).