tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C75H108ClN19O9 — CID 165052853

About tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 165052853) has the molecular formula C75H108ClN19O9 and a molecular weight of 1455.27 g/mol. Its IUPAC name is tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
• PubChem CID: 165052853
• Molecular Formula: C75H108ClN19O9
• Molecular Weight: 1455.27 g/mol
• Exact Mass: 1453.83
• IUPAC Name: tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
• SMILES: C.C.CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)CCCC3CC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)O)c2C1.Clc1ncnc2[nH]ccc12.NCCC1CC1.O=C(CCCC1CC1)c1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.O=C(CCCC1CC1)c1n[nH]c2c1CNCC2
• InChI: InChI=1S/C19H22N6O.C18H27N3O3.C13H19N3O.C12H17N3O4.C6H4ClN3.C5H11N.2CH4/c26-16(3-1-2-12-4-5-12)17-14-10-25(9-7-15(14)23-24-17)19-13-6-8-20-18(13)21-11-22-19;1-18(2,3)24-17(23)21-10-9-14-13(11-21)16(20-19-14)15(22)6-4-5-12-7-8-12;17-12(3-1-2-9-4-5-9)13-10-8-14-7-6-11(10)15-16-13;1-12(2,3)19-11(18)15-5-4-8-7(6-15)9(10(16)17)14-13-8;7-5-4-1-2-8-6(4)10-3-9-5;6-4-3-5-1-2-5;;/h6,8,11-12H,1-5,7,9-10H2,(H,23,24)(H,20,21,22);12H,4-11H2,1-3H3,(H,19,20);9,14H,1-8H2,(H,15,16);4-6H2,1-3H3,(H,13,14)(H,16,17);1-3H,(H,8,9,10);5H,1-4,6H2;2*1H4
• InChIKey: PYDOHOKHDQGEAD-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 386.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.27
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The IUPAC name of tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 165052853) is tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

What is the SMILES notation for tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The canonical SMILES for tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is C.C.CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)CCCC3CC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)O)c2C1.Clc1ncnc2[nH]ccc12.NCCC1CC1.O=C(CCCC1CC1)c1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.O=C(CCCC1CC1)c1n[nH]c2c1CNCC2.

What is the InChIKey of tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

The InChIKey is PYDOHOKHDQGEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C18H27N3O3.C13H19N3O.C12H17N3O4.C6H4ClN3.C5H11N.2CH4/c26-16(3-1-2-12-4-5-12)17-14-10-25(9-7-15(14)23-24-17)19-13-6-8-20-18(13)21-11-22-19;1-18(2,3)24-17(23)21-10-9-14-13(11-21)16(20-19-14)15(22)6-4-5-12-7-8-12;17-12(3-1-2-9-4-5-9)13-10-8-14-7-6-11(10)15-16-13;1-12(2,3)19-11(18)15-5-4-8-7(6-15)9(10(16)17)14-13-8;7-5-4-1-2-8-6(4)10-3-9-5;6-4-3-5-1-2-5;;/h6,8,11-12H,1-5,7,9-10H2,(H,23,24)(H,20,21,22);12H,4-11H2,1-3H3,(H,19,20);9,14H,1-8H2,(H,15,16);4-6H2,1-3H3,(H,13,14)(H,16,17);1-3H,(H,8,9,10);5H,1-4,6H2;2*1H4.

What are the key properties of tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?

tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 1455.27 g/mol, XLogP of 13.32, 19 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(4-cyclopropylbutanoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-cyclopropylethanamine;4-cyclopropyl-1-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]butan-1-one;4-cyclopropyl-1-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)butan-1-one;methane;5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 165052853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).