7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C23H27N5O4 — CID 46891271

IUPAC7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2cc(C(=O)NC3CCN(c4ncccn4)CC3)oc12
InChIInChI=1S/C23H27N5O4/c1-30-19-4-3-18(27-11-13-31-14-12-27)17-15-20(32-21(17)19)22(29)26-16-5-9-28(10-6-16)23-24-7-2-8-25-23/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,26,29)
InChIKeyYHRJFTFVILMZLD-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.47
Rot. Bonds5

About 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide

7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 46891271) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID46891271
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2cc(C(=O)NC3CCN(c4ncccn4)CC3)oc12
InChIInChI=1S/C23H27N5O4/c1-30-19-4-3-18(27-11-13-31-14-12-27)17-15-20(32-21(17)19)22(29)26-16-5-9-28(10-6-16)23-24-7-2-8-25-23/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,26,29)
InChIKeyYHRJFTFVILMZLD-UHFFFAOYSA-N
XLogP2.47
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
7-methoxy-N-[(1R,5S)-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-2-carboxamide
CID 154876248
1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 55705430
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853
N-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636782
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 10172866
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 46891271) is 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide is COc1ccc(N2CCOCC2)c2cc(C(=O)NC3CCN(c4ncccn4)CC3)oc12.
What is the InChIKey of 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YHRJFTFVILMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-30-19-4-3-18(27-11-13-31-14-12-27)17-15-20(32-21(17)19)22(29)26-16-5-9-28(10-6-16)23-24-7-2-8-25-23/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,26,29).
What are the key properties of 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-morpholin-4-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46891271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).