2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one

C21H17N5O3 — CID 53492387

IUPAC2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
SMILESCOc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2ccncc2O3)c1
InChIInChI=1S/C21H17N5O3/c1-26-19(27)21(25-20(26)22)15-5-6-23-11-18(15)29-17-4-3-12(8-16(17)21)13-7-14(28-2)10-24-9-13/h3-11H,1-2H3,(H2,22,25)
InChIKeyAXTQSPPDSMXCGY-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.29
Rot. Bonds2

About 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one

2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one (PubChem CID 53492387) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
PubChem CID53492387
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
SMILESCOc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2ccncc2O3)c1
InChIInChI=1S/C21H17N5O3/c1-26-19(27)21(25-20(26)22)15-5-6-23-11-18(15)29-17-4-3-12(8-16(17)21)13-7-14(28-2)10-24-9-13/h3-11H,1-2H3,(H2,22,25)
InChIKeyAXTQSPPDSMXCGY-UHFFFAOYSA-N
XLogP2.29
TPSA102.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one
CID 53492524
2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
CID 53492389
2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
CID 53492521
2-amino-2'-(5-chloro-3-pyridinyl)-7'-methoxy-3-methylspiro[imidazole-5,9'-thioxanthene]-4-one
CID 53492048
2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 53491838
2-amino-2'-methoxy-3-methyl-7'-(3-methylbutyl)spiro[imidazole-5,9'-xanthene]-4-one
CID 53492648
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one
CID 16725801
[4-[2-amino-4-[3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 87682247
2-amino-2'-bromo-7'-hydroxy-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67459681
2-amino-2'-(2-fluoro-3-pyridinyl)-7'-methoxy-3-methylspiro[imidazole-5,9'-thioxanthene]-4-one
CID 53492050
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67457293

Frequently Asked Questions

What is the IUPAC name of 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one (CID 53492387) is 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one is COc1cncc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)c2ccncc2O3)c1.
What is the InChIKey of 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one?
The InChIKey is AXTQSPPDSMXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-26-19(27)21(25-20(26)22)15-5-6-23-11-18(15)29-17-4-3-12(8-16(17)21)13-7-14(28-2)10-24-9-13/h3-11H,1-2H3,(H2,22,25).
What are the key properties of 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one?
2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one has a molecular weight of 387.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one is sourced from PubChem (CID 53492387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).