2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile

C17H18N6O — CID 155974429

IUPAC2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(COc3cc4c(nn3)CCC4)C2)n1
InChIInChI=1S/C17H18N6O/c18-9-14-4-6-19-17(20-14)23-7-5-12(10-23)11-24-16-8-13-2-1-3-15(13)21-22-16/h4,6,8,12H,1-3,5,7,10-11H2
InChIKeyIWDCYUJXWSWUJH-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.53
Rot. Bonds4

About 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile

2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 155974429) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID155974429
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(COc3cc4c(nn3)CCC4)C2)n1
InChIInChI=1S/C17H18N6O/c18-9-14-4-6-19-17(20-14)23-7-5-12(10-23)11-24-16-8-13-2-1-3-15(13)21-22-16/h4,6,8,12H,1-3,5,7,10-11H2
InChIKeyIWDCYUJXWSWUJH-UHFFFAOYSA-N
XLogP1.53
TPSA87.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile with MolForge

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Related Compounds

3-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 155974356
6-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155975075
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 155941665
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 163344125
2-[3-(methoxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64598310
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107543802
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
CID 134161282
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 126918704

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile (CID 155974429) is 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCC(COc3cc4c(nn3)CCC4)C2)n1.
What is the InChIKey of 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is IWDCYUJXWSWUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-9-14-4-6-19-17(20-14)23-7-5-12(10-23)11-24-16-8-13-2-1-3-15(13)21-22-16/h4,6,8,12H,1-3,5,7,10-11H2.
What are the key properties of 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yloxymethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 155974429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).