N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6O — CID 3229916

IUPACN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(-c2cc3nc(C)cc(NCCCn4ccnc4)n3n2)c1
InChIInChI=1S/C20H22N6O/c1-15-11-19(22-7-4-9-25-10-8-21-14-25)26-20(23-15)13-18(24-26)16-5-3-6-17(12-16)27-2/h3,5-6,8,10-14,22H,4,7,9H2,1-2H3
InChIKeyRBHGYRXPWNPCQJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.41
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3229916) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3229916
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(-c2cc3nc(C)cc(NCCCn4ccnc4)n3n2)c1
InChIInChI=1S/C20H22N6O/c1-15-11-19(22-7-4-9-25-10-8-21-14-25)26-20(23-15)13-18(24-26)16-5-3-6-17(12-16)27-2/h3,5-6,8,10-14,22H,4,7,9H2,1-2H3
InChIKeyRBHGYRXPWNPCQJ-UHFFFAOYSA-N
XLogP3.41
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3229916) is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc(-c2cc3nc(C)cc(NCCCn4ccnc4)n3n2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RBHGYRXPWNPCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-11-19(22-7-4-9-25-10-8-21-14-25)26-20(23-15)13-18(24-26)16-5-3-6-17(12-16)27-2/h3,5-6,8,10-14,22H,4,7,9H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).