5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H27N5O3 — CID 110239180

IUPAC5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OC)c1CNC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)C(C)C
InChIInChI=1S/C24H27N5O3/c1-15(2)24(26-14-17-20(31-3)8-5-9-21(17)32-4)19-12-23(30)29-22(27-19)11-18(28-29)16-7-6-10-25-13-16/h5-13,15,24,26,28H,14H2,1-4H3
InChIKeyWDVFNLQKGANYTO-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.59
Rot. Bonds8

About 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110239180) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110239180
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OC)c1CNC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)C(C)C
InChIInChI=1S/C24H27N5O3/c1-15(2)24(26-14-17-20(31-3)8-5-9-21(17)32-4)19-12-23(30)29-22(27-19)11-18(28-29)16-7-6-10-25-13-16/h5-13,15,24,26,28H,14H2,1-4H3
InChIKeyWDVFNLQKGANYTO-UHFFFAOYSA-N
XLogP3.59
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110239180) is 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(OC)c1CNC(c1cc(=O)n2[nH]c(-c3cccnc3)cc2n1)C(C)C.
What is the InChIKey of 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WDVFNLQKGANYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(2)24(26-14-17-20(31-3)8-5-9-21(17)32-4)19-12-23(30)29-22(27-19)11-18(28-29)16-7-6-10-25-13-16/h5-13,15,24,26,28H,14H2,1-4H3.
What are the key properties of 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 433.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110239180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).