2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide

C25H25N5O3 — CID 134286776

IUPAC2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C25H25N5O3/c1-33-22-12-16(17-13-26-27-14-17)8-11-21(22)24(31)28-18-9-6-15(7-10-18)23-19-4-2-3-5-20(19)25(32)30-29-23/h2-5,8,11-15,18H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32)
InChIKeyOENVQXPLEBBOIG-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.78
Rot. Bonds5

About 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide

2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 134286776) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID134286776
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1
InChIInChI=1S/C25H25N5O3/c1-33-22-12-16(17-13-26-27-14-17)8-11-21(22)24(31)28-18-9-6-15(7-10-18)23-19-4-2-3-5-20(19)25(32)30-29-23/h2-5,8,11-15,18H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32)
InChIKeyOENVQXPLEBBOIG-UHFFFAOYSA-N
XLogP3.78
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286476
3-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]benzamide
CID 134286708
5-chloro-6-oxo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1H-pyridine-3-carboxamide
CID 134286643
7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134286679
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
7-(difluoromethoxy)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134286661
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134286565
6-chloro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 134286552
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 134286405
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
7-(2-methyl-1,3-thiazol-5-yl)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134578463

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide (CID 134286776) is 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)ccc1C(=O)NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1.
What is the InChIKey of 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is OENVQXPLEBBOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-33-22-12-16(17-13-26-27-14-17)8-11-21(22)24(31)28-18-9-6-15(7-10-18)23-19-4-2-3-5-20(19)25(32)30-29-23/h2-5,8,11-15,18H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32).
What are the key properties of 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 443.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 134286776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).