N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide

C25H28N4O3 — CID 134325324

IUPACN-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCOCC3)c2)c1
InChIInChI=1S/C25H28N4O3/c1-17-2-3-19(25(30)28-21-4-5-21)10-24(17)20-12-27-29(15-20)22-11-23(14-26-13-22)32-16-18-6-8-31-9-7-18/h2-3,10-15,18,21H,4-9,16H2,1H3,(H,28,30)
InChIKeyKWPVKWHJVLDLPE-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.94
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325324) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325324
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCOCC3)c2)c1
InChIInChI=1S/C25H28N4O3/c1-17-2-3-19(25(30)28-21-4-5-21)10-24(17)20-12-27-29(15-20)22-11-23(14-26-13-22)32-16-18-6-8-31-9-7-18/h2-3,10-15,18,21H,4-9,16H2,1H3,(H,28,30)
InChIKeyKWPVKWHJVLDLPE-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325324) is N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCOCC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is KWPVKWHJVLDLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-2-3-19(25(30)28-21-4-5-21)10-24(17)20-12-27-29(15-20)22-11-23(14-26-13-22)32-16-18-6-8-31-9-7-18/h2-3,10-15,18,21H,4-9,16H2,1H3,(H,28,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).