N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

C22H22FN5O — CID 42691033

IUPACN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESO=C(NC1CC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C22H22FN5O/c23-15-5-9-17(10-6-15)27-11-13-28(14-12-27)21-19-4-2-1-3-18(19)20(25-26-21)22(29)24-16-7-8-16/h1-6,9-10,16H,7-8,11-14H2,(H,24,29)
InChIKeyRQCAAHWYHVUKMU-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.99
Rot. Bonds4

About N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide (PubChem CID 42691033) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
PubChem CID42691033
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESO=C(NC1CC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C22H22FN5O/c23-15-5-9-17(10-6-15)27-11-13-28(14-12-27)21-19-4-2-1-3-18(19)20(25-26-21)22(29)24-16-7-8-16/h1-6,9-10,16H,7-8,11-14H2,(H,24,29)
InChIKeyRQCAAHWYHVUKMU-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
CID 42878324
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690891
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide (CID 42691033) is N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide is O=C(NC1CC1)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The InChIKey is RQCAAHWYHVUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-15-5-9-17(10-6-15)27-11-13-28(14-12-27)21-19-4-2-1-3-18(19)20(25-26-21)22(29)24-16-7-8-16/h1-6,9-10,16H,7-8,11-14H2,(H,24,29).
What are the key properties of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide?
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 42691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).