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

C39H50F4N12O9 — CID 165089455

About 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

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 (PubChem CID 165089455) has the molecular formula C39H50F4N12O9 and a molecular weight of 906.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 165089455
• Molecular Formula: C39H50F4N12O9
• Molecular Weight: 906.90 g/mol
• Exact Mass: 906.38
• IUPAC Name: 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
• SMILES: C.CC(O)(CN)CO.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)NCC(C)(O)CO)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)O)cnn12
• InChI: InChI=1S/C19H22F2N6O4.C15H13F2N5O3.C4H11NO2.CH4/c1-19(30,9-28)8-23-18(29)11-7-24-27-15(22-2)6-14(26-17(11)27)25-13-5-10(20)4-12(21)16(13)31-3;1-18-12-5-11(21-14-8(15(23)24)6-19-22(12)14)20-10-4-7(16)3-9(17)13(10)25-2;1-4(7,2-5)3-6;/h4-7,22,28,30H,8-9H2,1-3H3,(H,23,29)(H,25,26);3-6,18H,1-2H3,(H,20,21)(H,23,24);6-7H,2-3,5H2,1H3;1H4
• InChIKey: WLNSLOAVCMPPMM-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 300.30 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.90
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CC(O)(CN)CO.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)NCC(C)(O)CO)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)O)cnn12.

What is the InChIKey of 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?

The InChIKey is WLNSLOAVCMPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O4.C15H13F2N5O3.C4H11NO2.CH4/c1-19(30,9-28)8-23-18(29)11-7-24-27-15(22-2)6-14(26-17(11)27)25-13-5-10(20)4-12(21)16(13)31-3;1-18-12-5-11(21-14-8(15(23)24)6-19-22(12)14)20-10-4-7(16)3-9(17)13(10)25-2;1-4(7,2-5)3-6;/h4-7,22,28,30H,8-9H2,1-3H3,(H,23,29)(H,25,26);3-6,18H,1-2H3,(H,20,21)(H,23,24);6-7H,2-3,5H2,1H3;1H4.

What are the key properties of 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?

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 has a molecular weight of 906.90 g/mol, XLogP of 3.10, 15 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 165089455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).