4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C75H101N19O14 — CID 157155622

About 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 157155622) has the molecular formula C75H101N19O14 and a molecular weight of 1492.75 g/mol. Its IUPAC name is 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 157155622
• Molecular Formula: C75H101N19O14
• Molecular Weight: 1492.75 g/mol
• Exact Mass: 1491.78
• IUPAC Name: 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: CC(C)(O)CCN.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CCCC(C)(C)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)O)cnn12.CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CCCC(C)(C)O)cnn12
• InChI: InChI=1S/C27H36N6O5.C22H28N6O3.C21H24N6O5.C5H13NO/c1-26(2,3)38-25(35)32(6)22-15-21(30-19-9-8-14-28-24(19)37-17-11-12-17)31-23-18(16-29-33(22)23)20(34)10-7-13-27(4,5)36;1-22(2,30)10-4-7-17(29)15-13-25-28-19(23-3)12-18(27-20(15)28)26-16-6-5-11-24-21(16)31-14-8-9-14;1-21(2,3)32-20(30)26(4)16-10-15(25-17-13(19(28)29)11-23-27(16)17)24-14-6-5-9-22-18(14)31-12-7-8-12;1-5(2,7)3-4-6/h8-9,14-17,36H,7,10-13H2,1-6H3,(H,30,31);5-6,11-14,23,30H,4,7-10H2,1-3H3,(H,26,27);5-6,9-12H,7-8H2,1-4H3,(H,24,25)(H,28,29);7H,3-4,6H2,1-2H3
• InChIKey: ALTQYFTXKLDPNO-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 422.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1492.75
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 157155622) is 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(O)CCN.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CCCC(C)(C)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)O)cnn12.CNc1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)CCCC(C)(C)O)cnn12.

What is the InChIKey of 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is ALTQYFTXKLDPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O5.C22H28N6O3.C21H24N6O5.C5H13NO/c1-26(2,3)38-25(35)32(6)22-15-21(30-19-9-8-14-28-24(19)37-17-11-12-17)31-23-18(16-29-33(22)23)20(34)10-7-13-27(4,5)36;1-22(2,30)10-4-7-17(29)15-13-25-28-19(23-3)12-18(27-20(15)28)26-16-6-5-11-24-21(16)31-14-8-9-14;1-21(2,3)32-20(30)26(4)16-10-15(25-17-13(19(28)29)11-23-27(16)17)24-14-6-5-9-22-18(14)31-12-7-8-12;1-5(2,7)3-4-6/h8-9,14-17,36H,7,10-13H2,1-6H3,(H,30,31);5-6,11-14,23,30H,4,7-10H2,1-3H3,(H,26,27);5-6,9-12H,7-8H2,1-4H3,(H,24,25)(H,28,29);7H,3-4,6H2,1-2H3.

What are the key properties of 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 1492.75 g/mol, XLogP of 12.06, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-methylbutan-2-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-(5-hydroxy-5-methylhexanoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-5-hydroxy-5-methylhexan-1-one;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 157155622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).