1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one

C18H19N5O — CID 146537210

IUPAC1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)n1
InChIInChI=1S/C18H19N5O/c24-17-19-7-2-8-23(17)15-4-1-3-14(22-15)12-9-13-16(20-10-12)21-11-18(13)5-6-18/h1,3-4,9-10H,2,5-8,11H2,(H,19,24)(H,20,21)
InChIKeyDHJCKBXAAUTIAH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.52
Rot. Bonds2

About 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one

1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one (PubChem CID 146537210) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one
PubChem CID146537210
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)n1
InChIInChI=1S/C18H19N5O/c24-17-19-7-2-8-23(17)15-4-1-3-14(22-15)12-9-13-16(20-10-12)21-11-18(13)5-6-18/h1,3-4,9-10H,2,5-8,11H2,(H,19,24)(H,20,21)
InChIKeyDHJCKBXAAUTIAH-UHFFFAOYSA-N
XLogP2.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylphenyl)piperazin-2-one
CID 146536682
(3-amino-6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 146537191
5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
CID 155492812
(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
CID 166034699
5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
CID 146536580
3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]benzoic acid
CID 146134465
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
1-(2,3-difluorophenyl)-1,3-diazinan-2-one
CID 115370970
6-amino-2-fluoro-3-(4'-hydroxyspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-5-yl)-N,N-dimethylbenzamide
CID 146536708
1-(3-bromoquinolin-8-yl)imidazolidin-2-one
CID 116784875
7,23-dimethyl-3,7,11,19,23,27,33,34-octazatricyclo[27.3.1.113,17]tetratriaconta-1(33),13(34),14,16,29,31-hexaene-2,12,18,28-tetrone
CID 101488986
5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione
CID 165018618

Frequently Asked Questions

What is the IUPAC name of 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one (CID 146537210) is 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one is O=C1NCCCN1c1cccc(-c2cnc3c(c2)C2(CC2)CN3)n1.
What is the InChIKey of 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one?
The InChIKey is DHJCKBXAAUTIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17-19-7-2-8-23(17)15-4-1-3-14(22-15)12-9-13-16(20-10-12)21-11-18(13)5-6-18/h1,3-4,9-10H,2,5-8,11H2,(H,19,24)(H,20,21).
What are the key properties of 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one?
1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-2-pyridinyl)-1,3-diazinan-2-one is sourced from PubChem (CID 146537210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).