3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

C86H62Cl3F7N22 — CID 159055345

IUPAC3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(F)(F)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.Clc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12.FC1(F)CN(c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.Fc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12
InChIInChI=1S/C19H15F2N5.C17H11Cl2N3.C17H11ClFN3.C17H13F2N5.C16H12F2N6/c20-19(21)10-26(11-19)16-5-1-3-12-9-13(6-7-14(12)16)23-18-17-15(24-25-18)4-2-8-22-17;2*18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17;1-17(18,19)14-12-5-4-11(9-10(12)6-8-20-14)22-16-13-3-2-7-21-15(13)23-24-16;1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12/h1-9H,10-11H2,(H2,23,24,25);2*1-8H,9H2,(H,21,22);2-9H,1H3,(H2,21,22,23,24);2-8H,1H3,(H2,21,22,23,24)
InChIKeyJXUABHVDVGNDAA-UHFFFAOYSA-N
MW1642.94 g/mol
LogP21.93
Rot. Bonds13

About 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine

3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (PubChem CID 159055345) has the molecular formula C86H62Cl3F7N22 and a molecular weight of 1642.94 g/mol. Its IUPAC name is 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
PubChem CID159055345
Molecular FormulaC86H62Cl3F7N22
Molecular Weight1642.94 g/mol
Exact Mass1640.45
IUPAC Name3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
SMILESCC(F)(F)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.Clc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12.FC1(F)CN(c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.Fc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12
InChIInChI=1S/C19H15F2N5.C17H11Cl2N3.C17H11ClFN3.C17H13F2N5.C16H12F2N6/c20-19(21)10-26(11-19)16-5-1-3-12-9-13(6-7-14(12)16)23-18-17-15(24-25-18)4-2-8-22-17;2*18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17;1-17(18,19)14-12-5-4-11(9-10(12)6-8-20-14)22-16-13-3-2-7-21-15(13)23-24-16;1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12/h1-9H,10-11H2,(H2,23,24,25);2*1-8H,9H2,(H,21,22);2-9H,1H3,(H2,21,22,23,24);2-8H,1H3,(H2,21,22,23,24)
InChIKeyJXUABHVDVGNDAA-UHFFFAOYSA-N
XLogP21.93
TPSA285.85 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001642.94
LogP ≤ 521.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The IUPAC name of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine (CID 159055345) is 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The canonical SMILES for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is CC(F)(F)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.Clc1ccc(Cl)c2cc(Cc3[nH]nc4cccnc34)ccc12.FC1(F)CN(c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.Fc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12.
What is the InChIKey of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
The InChIKey is JXUABHVDVGNDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5.C17H11Cl2N3.C17H11ClFN3.C17H13F2N5.C16H12F2N6/c20-19(21)10-26(11-19)16-5-1-3-12-9-13(6-7-14(12)16)23-18-17-15(24-25-18)4-2-8-22-17;2*18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17;1-17(18,19)14-12-5-4-11(9-10(12)6-8-20-14)22-16-13-3-2-7-21-15(13)23-24-16;1-16(17,18)13-11-3-2-10(8-9(11)4-5-20-13)22-15-12-14(23-24-15)21-7-6-19-12/h1-9H,10-11H2,(H2,23,24,25);2*1-8H,9H2,(H,21,22);2-9H,1H3,(H2,21,22,23,24);2-8H,1H3,(H2,21,22,23,24).
What are the key properties of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine?
3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine has a molecular weight of 1642.94 g/mol, XLogP of 21.93, 13 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 159055345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).