CID 121276890

C20H22N4O — CID 121276890

IUPAC—
SMILESNC1=NC2(CO1)c1cc(-c3cccnn3)ccc1CC21CCCCC1
InChIInChI=1S/C20H22N4O/c21-18-23-20(13-25-18)16-11-14(17-5-4-10-22-24-17)6-7-15(16)12-19(20)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12-13H2,(H2,21,23)
InChIKeyCPLHYVPIGSXUDP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.19
Rot. Bonds1

About CID 121276890

CID 121276890 (PubChem CID 121276890) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol.

Molecular Properties

Compound NameCID 121276890
PubChem CID121276890
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(-c3cccnn3)ccc1CC21CCCCC1
InChIInChI=1S/C20H22N4O/c21-18-23-20(13-25-18)16-11-14(17-5-4-10-22-24-17)6-7-15(16)12-19(20)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12-13H2,(H2,21,23)
InChIKeyCPLHYVPIGSXUDP-UHFFFAOYSA-N
XLogP3.19
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 140897865
5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
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5-pyridazin-3-yl-2,3-dihydro-1H-indole
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CID 90056474
CID 90056474
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
5-[4-[1-(5-pyridazin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848643
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241930
6'-(1H-indazol-4-yl)dispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
CID 86724306
CID 141388602
CID 141388602
CID 58197591
CID 58197591
3-[2'-amino-2-(3-methoxypropyl)-2-methylspiro[1H-indene-3,4'-5H-1,3-oxazole]-5-yl]-5-methoxybenzonitrile
CID 121276926

Frequently Asked Questions

What is the IUPAC name of CID 121276890?
The IUPAC name of CID 121276890 (CID 121276890) is not available.
What is the SMILES notation for CID 121276890?
The canonical SMILES for CID 121276890 is NC1=NC2(CO1)c1cc(-c3cccnn3)ccc1CC21CCCCC1.
What is the InChIKey of CID 121276890?
The InChIKey is CPLHYVPIGSXUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-18-23-20(13-25-18)16-11-14(17-5-4-10-22-24-17)6-7-15(16)12-19(20)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12-13H2,(H2,21,23).
What are the key properties of CID 121276890?
CID 121276890 has a molecular weight of 334.42 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121276890 is sourced from PubChem (CID 121276890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).