5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride

C19H16ClN5O — CID 118205309

IUPAC5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncc(-c2cc(OCc3ccccn3)nc3c2CCC3)cn1
InChIInChI=1S/C19H15N5O.ClH/c20-9-18-22-10-13(11-23-18)16-8-19(24-17-6-3-5-15(16)17)25-12-14-4-1-2-7-21-14;/h1-2,4,7-8,10-11H,3,5-6,12H2;1H
InChIKeyJATOPAJEFODGSR-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.29
Rot. Bonds4

About 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride

5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride (PubChem CID 118205309) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride
PubChem CID118205309
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncc(-c2cc(OCc3ccccn3)nc3c2CCC3)cn1
InChIInChI=1S/C19H15N5O.ClH/c20-9-18-22-10-13(11-23-18)16-8-19(24-17-6-3-5-15(16)17)25-12-14-4-1-2-7-21-14;/h1-2,4,7-8,10-11H,3,5-6,12H2;1H
InChIKeyJATOPAJEFODGSR-UHFFFAOYSA-N
XLogP3.29
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride with MolForge

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Related Compounds

4-(2-fluoropyrimidin-5-yl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118205364
bis(2-(pyridin-2-ylmethoxy)-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline);hydrochloride
CID 162242010
3-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrazine-2-carbonitrile;hydrochloride
CID 118205334
5-[2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinolin-4-yl]pyrimidine-4-carbonitrile
CID 118205414
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 118290518
4-pyridazin-3-yl-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 73336054
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205251
4-(2-fluoro-5-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205297
3-[[4-(2-methylpyrimidin-5-yl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzonitrile
CID 73336049
2-methoxy-4-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 156783281
4-[(4-pyridazin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxymethyl]benzonitrile
CID 73335859
2-[(3,5-difluoro-2-pyridinyl)methoxy]-4-(2-methylpyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 73334972

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride (CID 118205309) is 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride is Cl.N#Cc1ncc(-c2cc(OCc3ccccn3)nc3c2CCC3)cn1.
What is the InChIKey of 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride?
The InChIKey is JATOPAJEFODGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.ClH/c20-9-18-22-10-13(11-23-18)16-8-19(24-17-6-3-5-15(16)17)25-12-14-4-1-2-7-21-14;/h1-2,4,7-8,10-11H,3,5-6,12H2;1H.
What are the key properties of 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride?
5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]pyrimidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 118205309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).