N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide

C26H26N4O — CID 163552673

IUPACN-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ccncc23)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-2-5-9-22(18)26(31)28-16-19-10-12-20(13-11-19)25-23-17-27-15-14-24(23)30(29-25)21-7-3-4-8-21/h2,5-6,9-15,17,21H,3-4,7-8,16H2,1H3,(H,28,31)
InChIKeyFKJFDCPFTRTVRF-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.45
Rot. Bonds5

About N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide

N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide (PubChem CID 163552673) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide
PubChem CID163552673
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ccncc23)cc1
InChIInChI=1S/C26H26N4O/c1-18-6-2-5-9-22(18)26(31)28-16-19-10-12-20(13-11-19)25-23-17-27-15-14-24(23)30(29-25)21-7-3-4-8-21/h2,5-6,9-15,17,21H,3-4,7-8,16H2,1H3,(H,28,31)
InChIKeyFKJFDCPFTRTVRF-UHFFFAOYSA-N
XLogP5.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide (CID 163552673) is N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ccncc23)cc1.
What is the InChIKey of N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is FKJFDCPFTRTVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-6-2-5-9-22(18)26(31)28-16-19-10-12-20(13-11-19)25-23-17-27-15-14-24(23)30(29-25)21-7-3-4-8-21/h2,5-6,9-15,17,21H,3-4,7-8,16H2,1H3,(H,28,31).
What are the key properties of N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide?
N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 163552673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).