N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C106H124N36O13 — CID 158021368

About N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 158021368) has the molecular formula C106H124N36O13 and a molecular weight of 2110.40 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
• PubChem CID: 158021368
• Molecular Formula: C106H124N36O13
• Molecular Weight: 2110.40 g/mol
• Exact Mass: 2109.01
• IUPAC Name: N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
• SMILES: CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(C)cc(C)c3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccc(OC)cc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc(OC)c3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC)nc12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC(C)C)cnn12
• InChI: InChI=1S/C20H24N6O3.C18H22N6O.C17H18N6O3.3C17H20N6O2/c1-12(2)9-18(27)24-14-11-22-26-17(21-3)10-16(25-20(14)26)23-13-5-4-6-15-19(13)29-8-7-28-15;1-5-17(25)22-14-10-20-24-16(19-4)9-15(23-18(14)24)21-13-7-11(2)6-12(3)8-13;1-3-15(24)21-11-8-19-23-14(18-2)7-13(22-17(11)23)20-10-5-4-6-12-16(10)26-9-25-12;1-4-16(24)21-13-10-19-23-15(18-2)9-14(22-17(13)23)20-11-5-7-12(25-3)8-6-11;1-4-16(24)21-13-10-19-23-15(18-2)9-14(22-17(13)23)20-11-6-5-7-12(8-11)25-3;1-4-16(24)21-12-10-19-23-15(18-2)9-14(22-17(12)23)20-11-7-5-6-8-13(11)25-3/h4-6,10-12,21H,7-9H2,1-3H3,(H,23,25)(H,24,27);6-10,19H,5H2,1-4H3,(H,21,23)(H,22,25);4-8,18H,3,9H2,1-2H3,(H,20,22)(H,21,24);3*5-10,18H,4H2,1-3H3,(H,20,22)(H,21,24)
• InChIKey: FGCHWHVMHJGGNB-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 564.71 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.40
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?

The IUPAC name of N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 158021368) is N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

What is the SMILES notation for N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?

The canonical SMILES for N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(Nc3cc(C)cc(C)c3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccc(OC)cc3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc(OC)c3)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OCO4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3ccccc3OC)nc12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC(C)C)cnn12.

What is the InChIKey of N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?

The InChIKey is FGCHWHVMHJGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3.C18H22N6O.C17H18N6O3.3C17H20N6O2/c1-12(2)9-18(27)24-14-11-22-26-17(21-3)10-16(25-20(14)26)23-13-5-4-6-15-19(13)29-8-7-28-15;1-5-17(25)22-14-10-20-24-16(19-4)9-15(23-18(14)24)21-13-7-11(2)6-12(3)8-13;1-3-15(24)21-11-8-19-23-14(18-2)7-13(22-17(11)23)20-10-5-4-6-12-16(10)26-9-25-12;1-4-16(24)21-13-10-19-23-15(18-2)9-14(22-17(13)23)20-11-5-7-12(25-3)8-6-11;1-4-16(24)21-13-10-19-23-15(18-2)9-14(22-17(13)23)20-11-6-5-7-12(8-11)25-3;1-4-16(24)21-12-10-19-23-15(18-2)9-14(22-17(12)23)20-11-7-5-6-8-13(11)25-3/h4-6,10-12,21H,7-9H2,1-3H3,(H,23,25)(H,24,27);6-10,19H,5H2,1-4H3,(H,21,23)(H,22,25);4-8,18H,3,9H2,1-2H3,(H,20,22)(H,21,24);3*5-10,18H,4H2,1-3H3,(H,20,22)(H,21,24).

What are the key properties of N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?

N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 2110.40 g/mol, XLogP of 17.96, 34 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-benzodioxol-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylbutanamide;N-[5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(3-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-(4-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 158021368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).