5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)

C141H129Cl2N25O10 — CID 159070149

IUPAC5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)
SMILESC=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.Clc1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.Clc1cc2cnn(C3CCCCO3)c2c(-c2ccc(Oc3ccccc3)cc2)n1.c1ccc(Oc2ccc(-c3nc(N4CCCCC4)cc4cnn(C5CCCCO5)c34)cc2)cc1.c1ccc(Oc2ccc(-c3nc(N4CCNCC4)cc4cn[nH]c34)cc2)cc1
InChIInChI=1S/C28H30N4O2.2C25H23N5O2.C23H20ClN3O2.C22H21N5O.C18H12ClN3O/c1-3-9-23(10-4-1)34-24-14-12-21(13-15-24)27-28-22(19-25(30-27)31-16-6-2-7-17-31)20-29-32(28)26-11-5-8-18-33-26;2*1-2-23(31)30-14-12-29(13-15-30)22-16-19-17-26-28-25(19)24(27-22)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;24-20-14-17-15-25-27(21-8-4-5-13-28-21)23(17)22(26-20)16-9-11-19(12-10-16)29-18-6-2-1-3-7-18;1-2-4-18(5-3-1)28-19-8-6-16(7-9-19)21-22-17(15-24-26-22)14-20(25-21)27-12-10-23-11-13-27;19-16-10-13-11-20-22-18(13)17(21-16)12-6-8-15(9-7-12)23-14-4-2-1-3-5-14/h1,3-4,9-10,12-15,19-20,26H,2,5-8,11,16-18H2;2*2-11,16-17H,1,12-15H2,(H,26,28);1-3,6-7,9-12,14-15,21H,4-5,8,13H2;1-9,14-15,23H,10-13H2,(H,24,26);1-11H,(H,20,22)
InChIKeyJZNUKVWZCNHGKO-UHFFFAOYSA-N
MW2404.65 g/mol
LogP30.22
Rot. Bonds26

About 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)

5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) (PubChem CID 159070149) has the molecular formula C141H129Cl2N25O10 and a molecular weight of 2404.65 g/mol. Its IUPAC name is 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one).

Molecular Properties

Compound Name5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)
PubChem CID159070149
Molecular FormulaC141H129Cl2N25O10
Molecular Weight2404.65 g/mol
Exact Mass2401.97
IUPAC Name5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)
SMILESC=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.Clc1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.Clc1cc2cnn(C3CCCCO3)c2c(-c2ccc(Oc3ccccc3)cc2)n1.c1ccc(Oc2ccc(-c3nc(N4CCCCC4)cc4cnn(C5CCCCO5)c34)cc2)cc1.c1ccc(Oc2ccc(-c3nc(N4CCNCC4)cc4cn[nH]c34)cc2)cc1
InChIInChI=1S/C28H30N4O2.2C25H23N5O2.C23H20ClN3O2.C22H21N5O.C18H12ClN3O/c1-3-9-23(10-4-1)34-24-14-12-21(13-15-24)27-28-22(19-25(30-27)31-16-6-2-7-17-31)20-29-32(28)26-11-5-8-18-33-26;2*1-2-23(31)30-14-12-29(13-15-30)22-16-19-17-26-28-25(19)24(27-22)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;24-20-14-17-15-25-27(21-8-4-5-13-28-21)23(17)22(26-20)16-9-11-19(12-10-16)29-18-6-2-1-3-7-18;1-2-4-18(5-3-1)28-19-8-6-16(7-9-19)21-22-17(15-24-26-22)14-20(25-21)27-12-10-23-11-13-27;19-16-10-13-11-20-22-18(13)17(21-16)12-6-8-15(9-7-12)23-14-4-2-1-3-5-14/h1,3-4,9-10,12-15,19-20,26H,2,5-8,11,16-18H2;2*2-11,16-17H,1,12-15H2,(H,26,28);1-3,6-7,9-12,14-15,21H,4-5,8,13H2;1-9,14-15,23H,10-13H2,(H,24,26);1-11H,(H,20,22)
InChIKeyJZNUKVWZCNHGKO-UHFFFAOYSA-N
XLogP30.22
TPSA367.15 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002404.65
LogP ≤ 530.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)?
The IUPAC name of 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) (CID 159070149) is 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one).
What is the SMILES notation for 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)?
The canonical SMILES for 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) is C=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCN(c2cc3cn[nH]c3c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.Clc1cc2cn[nH]c2c(-c2ccc(Oc3ccccc3)cc2)n1.Clc1cc2cnn(C3CCCCO3)c2c(-c2ccc(Oc3ccccc3)cc2)n1.c1ccc(Oc2ccc(-c3nc(N4CCCCC4)cc4cnn(C5CCCCO5)c34)cc2)cc1.c1ccc(Oc2ccc(-c3nc(N4CCNCC4)cc4cn[nH]c34)cc2)cc1.
What is the InChIKey of 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)?
The InChIKey is JZNUKVWZCNHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.2C25H23N5O2.C23H20ClN3O2.C22H21N5O.C18H12ClN3O/c1-3-9-23(10-4-1)34-24-14-12-21(13-15-24)27-28-22(19-25(30-27)31-16-6-2-7-17-31)20-29-32(28)26-11-5-8-18-33-26;2*1-2-23(31)30-14-12-29(13-15-30)22-16-19-17-26-28-25(19)24(27-22)18-8-10-21(11-9-18)32-20-6-4-3-5-7-20;24-20-14-17-15-25-27(21-8-4-5-13-28-21)23(17)22(26-20)16-9-11-19(12-10-16)29-18-6-2-1-3-7-18;1-2-4-18(5-3-1)28-19-8-6-16(7-9-19)21-22-17(15-24-26-22)14-20(25-21)27-12-10-23-11-13-27;19-16-10-13-11-20-22-18(13)17(21-16)12-6-8-15(9-7-12)23-14-4-2-1-3-5-14/h1,3-4,9-10,12-15,19-20,26H,2,5-8,11,16-18H2;2*2-11,16-17H,1,12-15H2,(H,26,28);1-3,6-7,9-12,14-15,21H,4-5,8,13H2;1-9,14-15,23H,10-13H2,(H,24,26);1-11H,(H,20,22).
What are the key properties of 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one)?
5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) has a molecular weight of 2404.65 g/mol, XLogP of 30.22, 26 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-2-yl)-7-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine;5-chloro-7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridine;1-(oxan-2-yl)-7-(4-phenoxyphenyl)-5-piperidin-1-ylpyrazolo[3,4-c]pyridine;7-(4-phenoxyphenyl)-5-piperazin-1-yl-1H-pyrazolo[3,4-c]pyridine;bis(1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-1-yl]prop-2-en-1-one) is sourced from PubChem (CID 159070149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).