N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C28H29N5O2 — CID 55725262

IUPACN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H29N5O2/c1-20-8-11-24(12-9-20)33-19-25(27(31-33)23-6-4-3-5-7-23)28(34)30-17-22-10-13-26(29-16-22)32-14-15-35-21(2)18-32/h3-13,16,19,21H,14-15,17-18H2,1-2H3,(H,30,34)
InChIKeyHZECGJFHTWFCCB-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.40
Rot. Bonds6

About N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 55725262) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID55725262
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC NameN-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H29N5O2/c1-20-8-11-24(12-9-20)33-19-25(27(31-33)23-6-4-3-5-7-23)28(34)30-17-22-10-13-26(29-16-22)32-14-15-35-21(2)18-32/h3-13,16,19,21H,14-15,17-18H2,1-2H3,(H,30,34)
InChIKeyHZECGJFHTWFCCB-UHFFFAOYSA-N
XLogP4.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 55725262) is N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is HZECGJFHTWFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-20-8-11-24(12-9-20)33-19-25(27(31-33)23-6-4-3-5-7-23)28(34)30-17-22-10-13-26(29-16-22)32-14-15-35-21(2)18-32/h3-13,16,19,21H,14-15,17-18H2,1-2H3,(H,30,34).
What are the key properties of N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55725262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).