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

C25H25N5O2 — CID 134286476

IUPAC3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCC(c3n[nH]c(=O)c4ccccc34)CC2)ccc1-c1cn[nH]c1
InChIInChI=1S/C25H25N5O2/c1-15-12-17(8-11-20(15)18-13-26-27-14-18)24(31)28-19-9-6-16(7-10-19)23-21-4-2-3-5-22(21)25(32)30-29-23/h2-5,8,11-14,16,19H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32)
InChIKeyWTURGQMWWRSMKP-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.08
Rot. Bonds4

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

3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 134286476) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID134286476
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCC(c3n[nH]c(=O)c4ccccc34)CC2)ccc1-c1cn[nH]c1
InChIInChI=1S/C25H25N5O2/c1-15-12-17(8-11-20(15)18-13-26-27-14-18)24(31)28-19-9-6-16(7-10-19)23-21-4-2-3-5-22(21)25(32)30-29-23/h2-5,8,11-14,16,19H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32)
InChIKeyWTURGQMWWRSMKP-UHFFFAOYSA-N
XLogP4.08
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286776
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
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
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
CID 118673697
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
4-(4-aminocyclohexyl)-2H-phthalazin-1-one
CID 134286363
6-fluoro-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134286586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide (CID 134286476) is 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide is Cc1cc(C(=O)NC2CCC(c3n[nH]c(=O)c4ccccc34)CC2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is WTURGQMWWRSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15-12-17(8-11-20(15)18-13-26-27-14-18)24(31)28-19-9-6-16(7-10-19)23-21-4-2-3-5-22(21)25(32)30-29-23/h2-5,8,11-14,16,19H,6-7,9-10H2,1H3,(H,26,27)(H,28,31)(H,30,32).
What are the key properties of 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 427.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 134286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).