1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide

C32H34N8O3 — CID 155539793

IUPAC1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(n2nc(C(=O)Nc3ccc(NC(=O)c4cnn5ccccc45)cc3)c3ccccc32)CC1
InChIInChI=1S/C32H34N8O3/c1-32(2,3)36-31(43)38-18-15-23(16-19-38)40-27-10-5-4-8-24(27)28(37-40)30(42)35-22-13-11-21(12-14-22)34-29(41)25-20-33-39-17-7-6-9-26(25)39/h4-14,17,20,23H,15-16,18-19H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)
InChIKeyQCSSRHWUDKXXMD-UHFFFAOYSA-N
MW578.68 g/mol
LogP5.33
Rot. Bonds5

About 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide

1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide (PubChem CID 155539793) has the molecular formula C32H34N8O3 and a molecular weight of 578.68 g/mol. Its IUPAC name is 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
PubChem CID155539793
Molecular FormulaC32H34N8O3
Molecular Weight578.68 g/mol
Exact Mass578.28
IUPAC Name1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(n2nc(C(=O)Nc3ccc(NC(=O)c4cnn5ccccc45)cc3)c3ccccc32)CC1
InChIInChI=1S/C32H34N8O3/c1-32(2,3)36-31(43)38-18-15-23(16-19-38)40-27-10-5-4-8-24(27)28(37-40)30(42)35-22-13-11-21(12-14-22)34-29(41)25-20-33-39-17-7-6-9-26(25)39/h4-14,17,20,23H,15-16,18-19H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)
InChIKeyQCSSRHWUDKXXMD-UHFFFAOYSA-N
XLogP5.33
TPSA125.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide?
The IUPAC name of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide (CID 155539793) is 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide is CC(C)(C)NC(=O)N1CCC(n2nc(C(=O)Nc3ccc(NC(=O)c4cnn5ccccc45)cc3)c3ccccc32)CC1.
What is the InChIKey of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide?
The InChIKey is QCSSRHWUDKXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O3/c1-32(2,3)36-31(43)38-18-15-23(16-19-38)40-27-10-5-4-8-24(27)28(37-40)30(42)35-22-13-11-21(12-14-22)34-29(41)25-20-33-39-17-7-6-9-26(25)39/h4-14,17,20,23H,15-16,18-19H2,1-3H3,(H,34,41)(H,35,42)(H,36,43).
What are the key properties of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide?
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide has a molecular weight of 578.68 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 155539793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).