1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H24ClN7O — CID 55757650

IUPAC1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)c12
InChIInChI=1S/C23H24ClN7O/c1-13-20-16(10-17(14-5-6-14)27-21(20)31(29-13)23(2,3)4)22(32)28-18-9-15(24)7-8-19(18)30-12-25-11-26-30/h7-12,14H,5-6H2,1-4H3,(H,28,32)
InChIKeyNXTGLCUUUCSKRU-UHFFFAOYSA-N
MW449.95 g/mol
LogP4.86
Rot. Bonds4

About 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55757650) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55757650
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC Name1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)c12
InChIInChI=1S/C23H24ClN7O/c1-13-20-16(10-17(14-5-6-14)27-21(20)31(29-13)23(2,3)4)22(32)28-18-9-15(24)7-8-19(18)30-12-25-11-26-30/h7-12,14H,5-6H2,1-4H3,(H,28,32)
InChIKeyNXTGLCUUUCSKRU-UHFFFAOYSA-N
XLogP4.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55757650) is 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)c12.
What is the InChIKey of 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NXTGLCUUUCSKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-13-20-16(10-17(14-5-6-14)27-21(20)31(29-13)23(2,3)4)22(32)28-18-9-15(24)7-8-19(18)30-12-25-11-26-30/h7-12,14H,5-6H2,1-4H3,(H,28,32).
What are the key properties of 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.95 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).