(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid

C14H13N3O2 — CID 175221278

IUPAC(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cnccn2)c2c1CC[C@@H]1C[C@H]21
InChIInChI=1S/C14H13N3O2/c18-14(19)11-7-17(12-6-15-3-4-16-12)13-9(11)2-1-8-5-10(8)13/h3-4,6-8,10H,1-2,5H2,(H,18,19)/t8-,10+/m1/s1
InChIKeyBDTLOGITDPKAGW-SCZZXKLOSA-N
MW255.28 g/mol
LogP2.02
Rot. Bonds2

About (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid

(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid (PubChem CID 175221278) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid.

Molecular Properties

Compound Name(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid
PubChem CID175221278
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid
SMILESO=C(O)c1cn(-c2cnccn2)c2c1CC[C@@H]1C[C@H]21
InChIInChI=1S/C14H13N3O2/c18-14(19)11-7-17(12-6-15-3-4-16-12)13-9(11)2-1-8-5-10(8)13/h3-4,6-8,10H,1-2,5H2,(H,18,19)/t8-,10+/m1/s1
InChIKeyBDTLOGITDPKAGW-SCZZXKLOSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid with MolForge

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Related Compounds

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CID 90031352
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N-tert-butyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 75600426
1-pyrazin-2-ylimidazole-2-carboxylic acid
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(2R,4R)-N'-cyclobutyl-N'-methylsulfonyl-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbohydrazide
CID 135305269
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CID 175783507
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CID 122454778
(2S,4S)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-9-pyrazin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 51030838
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
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N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid?
The IUPAC name of (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid (CID 175221278) is (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid.
What is the SMILES notation for (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid?
The canonical SMILES for (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid is O=C(O)c1cn(-c2cnccn2)c2c1CC[C@@H]1C[C@H]21.
What is the InChIKey of (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid?
The InChIKey is BDTLOGITDPKAGW-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19)11-7-17(12-6-15-3-4-16-12)13-9(11)2-1-8-5-10(8)13/h3-4,6-8,10H,1-2,5H2,(H,18,19)/t8-,10+/m1/s1.
What are the key properties of (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid?
(5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,6aS)-1-pyrazin-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indole-3-carboxylic acid is sourced from PubChem (CID 175221278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).