3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C72H87F3N18O4 — CID 158847474

IUPAC3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(C#N)c1F)CC2.Cc1cc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)ccc1F.Cc1cccc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)c1
InChIInChI=1S/2C18H20FN5O.C18H23FN4O.C18H24N4O/c1-18(2,3)16-13-10-24(7-6-15(13)22-23-16)17(25)21-12-4-5-14(19)11(8-12)9-20;1-18(2,3)16-12-10-24(8-7-13(12)22-23-16)17(25)21-14-6-4-5-11(9-20)15(14)19;1-11-9-12(5-6-14(11)19)20-17(24)23-8-7-15-13(10-23)16(22-21-15)18(2,3)4;1-12-6-5-7-13(10-12)19-17(23)22-9-8-15-14(11-22)16(21-20-15)18(2,3)4/h4-5,8H,6-7,10H2,1-3H3,(H,21,25)(H,22,23);4-6H,7-8,10H2,1-3H3,(H,21,25)(H,22,23);5-6,9H,7-8,10H2,1-4H3,(H,20,24)(H,21,22);5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyIZACIVYJZNHZNX-UHFFFAOYSA-N
MW1325.60 g/mol
LogP13.97
Rot. Bonds4

About 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 158847474) has the molecular formula C72H87F3N18O4 and a molecular weight of 1325.60 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID158847474
Molecular FormulaC72H87F3N18O4
Molecular Weight1325.60 g/mol
Exact Mass1324.71
IUPAC Name3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(C#N)c1F)CC2.Cc1cc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)ccc1F.Cc1cccc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)c1
InChIInChI=1S/2C18H20FN5O.C18H23FN4O.C18H24N4O/c1-18(2,3)16-13-10-24(7-6-15(13)22-23-16)17(25)21-12-4-5-14(19)11(8-12)9-20;1-18(2,3)16-12-10-24(8-7-13(12)22-23-16)17(25)21-14-6-4-5-11(9-20)15(14)19;1-11-9-12(5-6-14(11)19)20-17(24)23-8-7-15-13(10-23)16(22-21-15)18(2,3)4;1-12-6-5-7-13(10-12)19-17(23)22-9-8-15-14(11-22)16(21-20-15)18(2,3)4/h4-5,8H,6-7,10H2,1-3H3,(H,21,25)(H,22,23);4-6H,7-8,10H2,1-3H3,(H,21,25)(H,22,23);5-6,9H,7-8,10H2,1-4H3,(H,20,24)(H,21,22);5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyIZACIVYJZNHZNX-UHFFFAOYSA-N
XLogP13.97
TPSA291.66 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.60
LogP ≤ 513.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 158847474) is 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(C#N)c1F)CC2.Cc1cc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)ccc1F.Cc1cccc(NC(=O)N2CCc3[nH]nc(C(C)(C)C)c3C2)c1.
What is the InChIKey of 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IZACIVYJZNHZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20FN5O.C18H23FN4O.C18H24N4O/c1-18(2,3)16-13-10-24(7-6-15(13)22-23-16)17(25)21-12-4-5-14(19)11(8-12)9-20;1-18(2,3)16-12-10-24(8-7-13(12)22-23-16)17(25)21-14-6-4-5-11(9-20)15(14)19;1-11-9-12(5-6-14(11)19)20-17(24)23-8-7-15-13(10-23)16(22-21-15)18(2,3)4;1-12-6-5-7-13(10-12)19-17(23)22-9-8-15-14(11-22)16(21-20-15)18(2,3)4/h4-5,8H,6-7,10H2,1-3H3,(H,21,25)(H,22,23);4-6H,7-8,10H2,1-3H3,(H,21,25)(H,22,23);5-6,9H,7-8,10H2,1-4H3,(H,20,24)(H,21,22);5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1325.60 g/mol, XLogP of 13.97, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-cyano-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 158847474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).