1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one

C11H13N5O — CID 166460452

IUPAC1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one
SMILESCc1cc2[nH]c(N3CCNC3=O)cc2nc1N
InChIInChI=1S/C11H13N5O/c1-6-4-7-8(15-10(6)12)5-9(14-7)16-3-2-13-11(16)17/h4-5,14H,2-3H2,1H3,(H2,12,15)(H,13,17)
InChIKeyHFIRDOGHKUHPKV-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.98
Rot. Bonds1

About 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one

1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one (PubChem CID 166460452) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one
PubChem CID166460452
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one
SMILESCc1cc2[nH]c(N3CCNC3=O)cc2nc1N
InChIInChI=1S/C11H13N5O/c1-6-4-7-8(15-10(6)12)5-9(14-7)16-3-2-13-11(16)17/h4-5,14H,2-3H2,1H3,(H2,12,15)(H,13,17)
InChIKeyHFIRDOGHKUHPKV-UHFFFAOYSA-N
XLogP0.98
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-yl)imidazolidin-2-one
CID 68787886
1-(2-methyl-4-pyridinyl)imidazolidin-2-one
CID 170628851
1-(4-methyl-2-pyridinyl)imidazolidin-2-one
CID 122219864
1-(5-amino-6-methyl-1H-indol-2-yl)piperidin-4-one
CID 82386276
1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
CID 25130234
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
1-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 115370632
1-(1,3-dimethylpyrazol-4-yl)imidazolidin-2-one
CID 102807965
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
CID 161154968
4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine
CID 67570539
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
CID 115370555
1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one
CID 169421839

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one (CID 166460452) is 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one is Cc1cc2[nH]c(N3CCNC3=O)cc2nc1N.
What is the InChIKey of 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one?
The InChIKey is HFIRDOGHKUHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-4-7-8(15-10(6)12)5-9(14-7)16-3-2-13-11(16)17/h4-5,14H,2-3H2,1H3,(H2,12,15)(H,13,17).
What are the key properties of 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one?
1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)imidazolidin-2-one is sourced from PubChem (CID 166460452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).