[1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C80H95N23O10 — CID 159707333

About [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

[1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 159707333) has the molecular formula C80H95N23O10 and a molecular weight of 1538.79 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 159707333
• Molecular Formula: C80H95N23O10
• Molecular Weight: 1538.79 g/mol
• Exact Mass: 1537.76
• IUPAC Name: [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC3(CO)CC3)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.NCC1(CO)CC1
• InChI: InChI=1S/C28H29N7O3.C26H32N8O3.C21H23N7O3.C5H11NO/c1-32(18-20-6-3-2-4-7-20)25-16-24(31-27-22(28(36)37)17-30-35(25)27)23-19-34(26-21(23)8-5-9-29-26)11-10-33-12-14-38-15-13-33;1-27-22-13-21(31-24-19(14-30-34(22)24)25(36)29-16-26(17-35)4-5-26)20-15-33(23-18(20)3-2-6-28-23)8-7-32-9-11-37-12-10-32;1-22-18-11-17(25-20-15(21(29)30)12-24-28(18)20)16-13-27(19-14(16)3-2-4-23-19)6-5-26-7-9-31-10-8-26;6-3-5(4-7)1-2-5/h2-9,16-17,19H,10-15,18H2,1H3,(H,36,37);2-3,6,13-15,27,35H,4-5,7-12,16-17H2,1H3,(H,29,36);2-4,11-13,22H,5-10H2,1H3,(H,29,30);7H,1-4,6H2
• InChIKey: MYJOHFNZNBCDAA-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 378.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.79
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 159707333) is [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC3(CO)CC3)cnn12.CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)O)cnn12.NCC1(CO)CC1.

What is the InChIKey of [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is MYJOHFNZNBCDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3.C26H32N8O3.C21H23N7O3.C5H11NO/c1-32(18-20-6-3-2-4-7-20)25-16-24(31-27-22(28(36)37)17-30-35(25)27)23-19-34(26-21(23)8-5-9-29-26)11-10-33-12-14-38-15-13-33;1-27-22-13-21(31-24-19(14-30-34(22)24)25(36)29-16-26(17-35)4-5-26)20-15-33(23-18(20)3-2-6-28-23)8-7-32-9-11-37-12-10-32;1-22-18-11-17(25-20-15(21(29)30)12-24-28(18)20)16-13-27(19-14(16)3-2-4-23-19)6-5-26-7-9-31-10-8-26;6-3-5(4-7)1-2-5/h2-9,16-17,19H,10-15,18H2,1H3,(H,36,37);2-3,6,13-15,27,35H,4-5,7-12,16-17H2,1H3,(H,29,36);2-4,11-13,22H,5-10H2,1H3,(H,29,30);7H,1-4,6H2.

What are the key properties of [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

[1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 1538.79 g/mol, XLogP of 6.57, 25 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(aminomethyl)cyclopropyl]methanol;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 159707333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).