5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H22N6O4 — CID 164786183

IUPAC5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(Nc2cc(OCCCN)ccc2OC)nc2c(C(=O)O)cnn12
InChIInChI=1S/C18H22N6O4/c1-20-16-9-15(23-17-12(18(25)26)10-21-24(16)17)22-13-8-11(28-7-3-6-19)4-5-14(13)27-2/h4-5,8-10,20H,3,6-7,19H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyFCFYGKXOEGUBHO-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.95
Rot. Bonds9

About 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 164786183) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID164786183
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(Nc2cc(OCCCN)ccc2OC)nc2c(C(=O)O)cnn12
InChIInChI=1S/C18H22N6O4/c1-20-16-9-15(23-17-12(18(25)26)10-21-24(16)17)22-13-8-11(28-7-3-6-19)4-5-14(13)27-2/h4-5,8-10,20H,3,6-7,19H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyFCFYGKXOEGUBHO-UHFFFAOYSA-N
XLogP1.95
TPSA136.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 158444560
1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 164970078
3-amino-2-methylpropane-1,2-diol;5-(3,5-difluoro-2-methoxyanilino)-N-(2,3-dihydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane
CID 165089455
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
N-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441513
2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158610433
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441488
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569470
5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457902
5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523721
5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560731

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 164786183) is 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CNc1cc(Nc2cc(OCCCN)ccc2OC)nc2c(C(=O)O)cnn12.
What is the InChIKey of 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is FCFYGKXOEGUBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-20-16-9-15(23-17-12(18(25)26)10-21-24(16)17)22-13-8-11(28-7-3-6-19)4-5-14(13)27-2/h4-5,8-10,20H,3,6-7,19H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 1.95, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-aminopropoxy)-2-methoxyanilino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 164786183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).