(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone

C16H15N5OS — CID 139753425

IUPAC(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nncc3ccncc23)CC1
InChIInChI=1S/C16H15N5OS/c22-16(14-2-1-9-23-14)21-7-5-20(6-8-21)15-13-11-17-4-3-12(13)10-18-19-15/h1-4,9-11H,5-8H2
InChIKeyGOZKPCAGRHLEIL-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.05
Rot. Bonds2

About (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 139753425) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID139753425
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2nncc3ccncc23)CC1
InChIInChI=1S/C16H15N5OS/c22-16(14-2-1-9-23-14)21-7-5-20(6-8-21)15-13-11-17-4-3-12(13)10-18-19-15/h1-4,9-11H,5-8H2
InChIKeyGOZKPCAGRHLEIL-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
(1-methylpyrazol-4-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986216
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986226
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
1-benzyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carbonitrile
CID 59699670

Frequently Asked Questions

What is the IUPAC name of (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 139753425) is (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2nncc3ccncc23)CC1.
What is the InChIKey of (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is GOZKPCAGRHLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-16(14-2-1-9-23-14)21-7-5-20(6-8-21)15-13-11-17-4-3-12(13)10-18-19-15/h1-4,9-11H,5-8H2.
What are the key properties of (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 325.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrido[3,4-d]pyridazin-4-ylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 139753425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).