2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C25H34N6O2 — CID 24819656

IUPAC2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCCCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C25H34N6O2/c1-4-14-30-18-21(19(2)28-30)17-29-15-11-22(12-16-29)31-23(10-13-26-31)27-25(32)24(33-3)20-8-6-5-7-9-20/h5-10,13,18,22,24H,4,11-12,14-17H2,1-3H3,(H,27,32)
InChIKeyJAKKQGDBFVISQG-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.96
Rot. Bonds9

About 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24819656) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24819656
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCCCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C25H34N6O2/c1-4-14-30-18-21(19(2)28-30)17-29-15-11-22(12-16-29)31-23(10-13-26-31)27-25(32)24(33-3)20-8-6-5-7-9-20/h5-10,13,18,22,24H,4,11-12,14-17H2,1-3H3,(H,27,32)
InChIKeyJAKKQGDBFVISQG-UHFFFAOYSA-N
XLogP3.96
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24819656) is 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CCCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)c(C)n1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is JAKKQGDBFVISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-4-14-30-18-21(19(2)28-30)17-29-15-11-22(12-16-29)31-23(10-13-26-31)27-25(32)24(33-3)20-8-6-5-7-9-20/h5-10,13,18,22,24H,4,11-12,14-17H2,1-3H3,(H,27,32).
What are the key properties of 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 450.59 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24819656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).