6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one

C19H21N5OS — CID 126865291

IUPAC6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C19H21N5OS/c25-17-4-3-16(14-1-2-14)22-24(17)11-13-5-8-23(9-6-13)18-15-7-10-26-19(15)21-12-20-18/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
InChIKeyNRXKJTXLNFPLAZ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.04
Rot. Bonds4

About 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one

6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one (PubChem CID 126865291) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
PubChem CID126865291
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C19H21N5OS/c25-17-4-3-16(14-1-2-14)22-24(17)11-13-5-8-23(9-6-13)18-15-7-10-26-19(15)21-12-20-18/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
InChIKeyNRXKJTXLNFPLAZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865320
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one (CID 126865291) is 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The InChIKey is NRXKJTXLNFPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-17-4-3-16(14-1-2-14)22-24(17)11-13-5-8-23(9-6-13)18-15-7-10-26-19(15)21-12-20-18/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2.
What are the key properties of 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one?
6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one has a molecular weight of 367.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126865291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).