3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine

C20H19N5O3 — CID 59662345

IUPAC3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccc(OC)c(OC)c4)c3n2)cn1
InChIInChI=1S/C20H19N5O3/c1-26-16-6-4-13(10-17(16)27-2)15-12-22-25-9-8-18(24-20(15)25)23-14-5-7-19(28-3)21-11-14/h4-12H,1-3H3,(H,23,24)
InChIKeyKTNRDYMWWUGWEN-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.56
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662345) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662345
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(Nc2ccn3ncc(-c4ccc(OC)c(OC)c4)c3n2)cn1
InChIInChI=1S/C20H19N5O3/c1-26-16-6-4-13(10-17(16)27-2)15-12-22-25-9-8-18(24-20(15)25)23-14-5-7-19(28-3)21-11-14/h4-12H,1-3H3,(H,23,24)
InChIKeyKTNRDYMWWUGWEN-UHFFFAOYSA-N
XLogP3.56
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
CP466722
CID 44551660
Unii-XX8E5WP7FS
CID 118009787
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
ML303
CID 136141525
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662345) is 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(Nc2ccn3ncc(-c4ccc(OC)c(OC)c4)c3n2)cn1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KTNRDYMWWUGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-26-16-6-4-13(10-17(16)27-2)15-12-22-25-9-8-18(24-20(15)25)23-14-5-7-19(28-3)21-11-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 377.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).