4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine

C67H94ClN13O6 — CID 157483725

About 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine

4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine (PubChem CID 157483725) has the molecular formula C67H94ClN13O6 and a molecular weight of 1213.03 g/mol. Its IUPAC name is 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine.

Molecular Properties

• Compound Name: 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine
• PubChem CID: 157483725
• Molecular Formula: C67H94ClN13O6
• Molecular Weight: 1213.03 g/mol
• Exact Mass: 1211.71
• IUPAC Name: 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine
• SMILES: C1CC(N2CCOCC2)CCN1.C1CCC2=NCCCN2CC1.CCN(CC)CC.O=C(O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccccc3)c2n1.O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
• InChI: InChI=1S/C26H31N5O3.C17H14ClN3O2.C9H18N2O.C9H16N2.C6H15N/c32-26(33)21-17-22(30-11-9-19(10-12-30)29-13-15-34-16-14-29)23-24(18-5-4-6-18)28-31(25(23)27-21)20-7-2-1-3-8-20;18-12-9-13(17(22)23)19-16-14(12)15(10-5-4-6-10)20-21(16)11-7-2-1-3-8-11;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-5-9-10-6-4-8-11(9)7-3-1;1-4-7(5-2)6-3/h1-3,7-8,17-19H,4-6,9-16H2,(H,32,33);1-3,7-10H,4-6H2,(H,22,23);9-10H,1-8H2;1-8H2;4-6H2,1-3H3
• InChIKey: BWLPIBNGENUFDG-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 195.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1213.03
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine?

The IUPAC name of 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine (CID 157483725) is 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine.

What is the SMILES notation for 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine?

The canonical SMILES for 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine is C1CC(N2CCOCC2)CCN1.C1CCC2=NCCCN2CC1.CCN(CC)CC.O=C(O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccccc3)c2n1.O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.

What is the InChIKey of 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine?

The InChIKey is BWLPIBNGENUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3.C17H14ClN3O2.C9H18N2O.C9H16N2.C6H15N/c32-26(33)21-17-22(30-11-9-19(10-12-30)29-13-15-34-16-14-29)23-24(18-5-4-6-18)28-31(25(23)27-21)20-7-2-1-3-8-20;18-12-9-13(17(22)23)19-16-14(12)15(10-5-4-6-10)20-21(16)11-7-2-1-3-8-11;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-5-9-10-6-4-8-11(9)7-3-1;1-4-7(5-2)6-3/h1-3,7-8,17-19H,4-6,9-16H2,(H,32,33);1-3,7-10H,4-6H2,(H,22,23);9-10H,1-8H2;1-8H2;4-6H2,1-3H3.

What are the key properties of 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine?

4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine has a molecular weight of 1213.03 g/mol, XLogP of 10.81, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;4-piperidin-4-ylmorpholine is sourced from PubChem (CID 157483725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).