N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

C27H27N5O2 — CID 122183747

IUPACN-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C27H27N5O2/c1-20-4-9-25(15-26(20)32-19-24(17-29-32)23-3-2-10-28-16-23)30-27(33)22-7-5-21(6-8-22)18-31-11-13-34-14-12-31/h2-10,15-17,19H,11-14,18H2,1H3,(H,30,33)
InChIKeyJMHFJMQAYNDVED-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.33
Rot. Bonds6

About N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide

N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 122183747) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID122183747
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C27H27N5O2/c1-20-4-9-25(15-26(20)32-19-24(17-29-32)23-3-2-10-28-16-23)30-27(33)22-7-5-21(6-8-22)18-31-11-13-34-14-12-31/h2-10,15-17,19H,11-14,18H2,1H3,(H,30,33)
InChIKeyJMHFJMQAYNDVED-UHFFFAOYSA-N
XLogP4.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide (CID 122183747) is N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1-n1cc(-c2cccnc2)cn1.
What is the InChIKey of N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JMHFJMQAYNDVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-20-4-9-25(15-26(20)32-19-24(17-29-32)23-3-2-10-28-16-23)30-27(33)22-7-5-21(6-8-22)18-31-11-13-34-14-12-31/h2-10,15-17,19H,11-14,18H2,1H3,(H,30,33).
What are the key properties of N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 453.55 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 122183747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).