1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

C90H92Cl2FN13O13 — CID 159482941

About 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 159482941) has the molecular formula C90H92Cl2FN13O13 and a molecular weight of 1653.71 g/mol. Its IUPAC name is 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 159482941
• Molecular Formula: C90H92Cl2FN13O13
• Molecular Weight: 1653.71 g/mol
• Exact Mass: 1651.63
• IUPAC Name: 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCN)c32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cncc(OC(C)C)c32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cncc(OC4CCOC4)c32)C1
• InChI: InChI=1S/C31H31ClN4O5.C30H31ClN4O4.C29H30FN5O4/c1-3-28(37)35-14-5-6-21(18-35)36-31-24(16-33-17-27(31)41-23-13-15-39-19-23)30(34-36)20-9-11-22(12-10-20)40-26-8-4-7-25(38-2)29(26)32;1-5-27(36)34-15-7-8-21(18-34)35-30-23(16-32-17-26(30)38-19(2)3)29(33-35)20-11-13-22(14-12-20)39-25-10-6-9-24(37-4)28(25)31;1-3-26(36)34-14-5-6-20(18-34)35-29-22(16-32-17-25(29)38-15-13-31)28(33-35)19-9-11-21(12-10-19)39-24-8-4-7-23(37-2)27(24)30/h3-4,7-12,16-17,21,23H,1,5-6,13-15,18-19H2,2H3;5-6,9-14,16-17,19,21H,1,7-8,15,18H2,2-4H3;3-4,7-12,16-17,20H,1,5-6,13-15,18,31H2,2H3/t21-,23?;21-;/m11./s1
• InChIKey: LXFORALIJRKJDT-CPWWRQDPSA-N
• XLogP: 17.48
• TPSA: 271.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.71
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (CID 159482941) is 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCN)c32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cncc(OC(C)C)c32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cncc(OC4CCOC4)c32)C1.

What is the InChIKey of 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is LXFORALIJRKJDT-CPWWRQDPSA-N. The full InChI is InChI=1S/C31H31ClN4O5.C30H31ClN4O4.C29H30FN5O4/c1-3-28(37)35-14-5-6-21(18-35)36-31-24(16-33-17-27(31)41-23-13-15-39-19-23)30(34-36)20-9-11-22(12-10-20)40-26-8-4-7-25(38-2)29(26)32;1-5-27(36)34-15-7-8-21(18-34)35-30-23(16-32-17-26(30)38-19(2)3)29(33-35)20-11-13-22(14-12-20)39-25-10-6-9-24(37-4)28(25)31;1-3-26(36)34-14-5-6-20(18-34)35-29-22(16-32-17-25(29)38-15-13-31)28(33-35)19-9-11-21(12-10-19)39-24-8-4-7-23(37-2)27(24)30/h3-4,7-12,16-17,21,23H,1,5-6,13-15,18-19H2,2H3;5-6,9-14,16-17,19,21H,1,7-8,15,18H2,2-4H3;3-4,7-12,16-17,20H,1,5-6,13-15,18,31H2,2H3/t21-,23?;21-;/m11./s1.

What are the key properties of 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 1653.71 g/mol, XLogP of 17.48, 25 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-(oxolan-3-yloxy)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-7-propan-2-yloxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159482941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).