1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine — IUPAC name, SMILES, InChIKey & properties

Name: 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine

1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine (PubChem CID 162053924) has the molecular formula C85H81Cl5N16O8 and a molecular weight of 1631.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name	1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine
PubChem CID	162053924
Molecular Formula	C85H81Cl5N16O8
Molecular Weight	1631.95 g/mol
Exact Mass	1628.49
IUPAC Name	1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine
SMILES	COc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2nc(C3CCOCC3)c3ncncc32)cc1.O=c1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2c[nH]1.Oc1cncc2c1c(C1CCOCC1)nn2-c1ccc(Cl)cc1
InChI	InChI=1S/C18H18ClN3O2.2C17H16ClN3O2.C17H16ClN3O.C16H15ClN4O/c1-23-17-10-15-16(11-20-17)22(14-4-2-13(19)3-5-14)21-18(15)12-6-8-24-9-7-12;18-12-1-3-13(4-2-12)21-14-9-19-10-15(22)16(14)17(20-21)11-5-7-23-8-6-11;18-12-1-3-13(4-2-12)21-15-10-19-16(22)9-14(15)17(20-21)11-5-7-23-8-6-11;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;17-12-1-3-13(4-2-12)21-14-9-18-10-19-16(14)15(20-21)11-5-7-22-8-6-11/h2-5,10-12H,6-9H2,1H3;1-4,9-11,22H,5-8H2;1-4,9-11H,5-8H2,(H,19,22);1-4,9-12H,5-8H2;1-4,9-11H,5-8H2
InChIKey	YYXOOYXLRULRGN-UHFFFAOYSA-N
XLogP	18.24
TPSA	262.02 Å²
H-Bond Donors	2
H-Bond Acceptors	23
Rotatable Bonds	11
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.95
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Analyze 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine (CID 162053924) is 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine is COc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2nc(C3CCOCC3)c3ncncc32)cc1.O=c1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2c[nH]1.Oc1cncc2c1c(C1CCOCC1)nn2-c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine?

The InChIKey is YYXOOYXLRULRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2.2C17H16ClN3O2.C17H16ClN3O.C16H15ClN4O/c1-23-17-10-15-16(11-20-17)22(14-4-2-13(19)3-5-14)21-18(15)12-6-8-24-9-7-12;18-12-1-3-13(4-2-12)21-14-9-19-10-15(22)16(14)17(20-21)11-5-7-23-8-6-11;18-12-1-3-13(4-2-12)21-15-10-19-16(22)9-14(15)17(20-21)11-5-7-23-8-6-11;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;17-12-1-3-13(4-2-12)21-14-9-18-10-19-16(14)15(20-21)11-5-7-22-8-6-11/h2-5,10-12H,6-9H2,1H3;1-4,9-11,22H,5-8H2;1-4,9-11H,5-8H2,(H,19,22);1-4,9-12H,5-8H2;1-4,9-11H,5-8H2.

What are the key properties of 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine?

Where does this data come from?

All data for 1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 162053924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).