(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

C19H19N5O — CID 71986226

IUPAC(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESCc1ncccc1C(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H19N5O/c1-14-16(7-4-8-20-14)19(25)24-11-9-23(10-12-24)18-17-6-3-2-5-15(17)13-21-22-18/h2-8,13H,9-12H2,1H3
InChIKeyIEOSOPCQCIJBTH-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.30
Rot. Bonds2

About (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone

(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (PubChem CID 71986226) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
PubChem CID71986226
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
SMILESCc1ncccc1C(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H19N5O/c1-14-16(7-4-8-20-14)19(25)24-11-9-23(10-12-24)18-17-6-3-2-5-15(17)13-21-22-18/h2-8,13H,9-12H2,1H3
InChIKeyIEOSOPCQCIJBTH-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
N-tert-butyl-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747634
methyl 4-oxo-4-(4-phthalazin-1-ylpiperazin-1-yl)butanoate
CID 110715617
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 91624333
N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747636
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71998367
N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
CID 110715643
(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 139753425
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 11464443

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone (CID 71986226) is (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is Cc1ncccc1C(=O)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
The InChIKey is IEOSOPCQCIJBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-16(7-4-8-20-14)19(25)24-11-9-23(10-12-24)18-17-6-3-2-5-15(17)13-21-22-18/h2-8,13H,9-12H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone?
(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71986226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).