3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C22H28N4O — CID 135925092

IUPAC3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12
InChIInChI=1S/C22H28N4O/c1-22(2,3)19-18-13-15(14-23-16-9-7-8-10-16)21(27)24-20(18)26(25-19)17-11-5-4-6-12-17/h4-6,11-13,16,23H,7-10,14H2,1-3H3,(H,24,27)
InChIKeyVMMJYZNKARVQGU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.04
Rot. Bonds4

About 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135925092) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135925092
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12
InChIInChI=1S/C22H28N4O/c1-22(2,3)19-18-13-15(14-23-16-9-7-8-10-16)21(27)24-20(18)26(25-19)17-11-5-4-6-12-17/h4-6,11-13,16,23H,7-10,14H2,1-3H3,(H,24,27)
InChIKeyVMMJYZNKARVQGU-UHFFFAOYSA-N
XLogP4.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135925092) is 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12.
What is the InChIKey of 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VMMJYZNKARVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(2,3)19-18-13-15(14-23-16-9-7-8-10-16)21(27)24-20(18)26(25-19)17-11-5-4-6-12-17/h4-6,11-13,16,23H,7-10,14H2,1-3H3,(H,24,27).
What are the key properties of 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 364.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(cyclopentylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).