5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C94H114N26O10 — CID 157397432

IUPAC5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ccncc21.CC(C)N1C(=O)Cc2ccnnc21.CC(C)N1C(=O)Cc2cnccc21.CC(C)N1C(=O)Cc2cncnc21.CC(C)N1C(=O)Cc2cnncc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)Cc2nccnc21.CC(C)N1C(=O)Cc2ncncc21.CC(C)N1C(=O)Cc2nnccc21
InChIInChI=1S/4C10H12N2O.6C9H11N3O/c1-7(2)12-9-3-4-11-6-8(9)5-10(12)13;1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12;1-6(2)12-8-4-10-5-11-7(8)3-9(12)13;1-6(2)12-8-5-11-10-4-7(8)3-9(12)13;1-6(2)12-8(13)3-7-4-10-5-11-9(7)12;1-6(2)12-8(13)5-7-9(12)11-4-3-10-7;1-6(2)12-8-3-4-10-11-7(8)5-9(12)13;1-6(2)12-8(13)5-7-3-4-10-11-9(7)12/h2*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;3*3-4,6H,5H2,1-2H3
InChIKeyBMSWAOROWQEUIG-UHFFFAOYSA-N
MW1768.12 g/mol
LogP10.16
Rot. Bonds10

About 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 157397432) has the molecular formula C94H114N26O10 and a molecular weight of 1768.12 g/mol. Its IUPAC name is 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID157397432
Molecular FormulaC94H114N26O10
Molecular Weight1768.12 g/mol
Exact Mass1766.92
IUPAC Name5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ccncc21.CC(C)N1C(=O)Cc2ccnnc21.CC(C)N1C(=O)Cc2cnccc21.CC(C)N1C(=O)Cc2cncnc21.CC(C)N1C(=O)Cc2cnncc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)Cc2nccnc21.CC(C)N1C(=O)Cc2ncncc21.CC(C)N1C(=O)Cc2nnccc21
InChIInChI=1S/4C10H12N2O.6C9H11N3O/c1-7(2)12-9-3-4-11-6-8(9)5-10(12)13;1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12;1-6(2)12-8-4-10-5-11-7(8)3-9(12)13;1-6(2)12-8-5-11-10-4-7(8)3-9(12)13;1-6(2)12-8(13)3-7-4-10-5-11-9(7)12;1-6(2)12-8(13)5-7-9(12)11-4-3-10-7;1-6(2)12-8-3-4-10-11-7(8)5-9(12)13;1-6(2)12-8(13)5-7-3-4-10-11-9(7)12/h2*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;3*3-4,6H,5H2,1-2H3
InChIKeyBMSWAOROWQEUIG-UHFFFAOYSA-N
XLogP10.16
TPSA409.34 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.12
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 157397432) is 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ccncc21.CC(C)N1C(=O)Cc2ccnnc21.CC(C)N1C(=O)Cc2cnccc21.CC(C)N1C(=O)Cc2cncnc21.CC(C)N1C(=O)Cc2cnncc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1C(=O)Cc2nccnc21.CC(C)N1C(=O)Cc2ncncc21.CC(C)N1C(=O)Cc2nnccc21.
What is the InChIKey of 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BMSWAOROWQEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H12N2O.6C9H11N3O/c1-7(2)12-9-3-4-11-6-8(9)5-10(12)13;1-7(2)12-9-6-11-4-3-8(9)5-10(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12;1-6(2)12-8-4-10-5-11-7(8)3-9(12)13;1-6(2)12-8-5-11-10-4-7(8)3-9(12)13;1-6(2)12-8(13)3-7-4-10-5-11-9(7)12;1-6(2)12-8(13)5-7-9(12)11-4-3-10-7;1-6(2)12-8-3-4-10-11-7(8)5-9(12)13;1-6(2)12-8(13)5-7-3-4-10-11-9(7)12/h2*3-4,6-7H,5H2,1-2H3;2*3-5,7H,6H2,1-2H3;3*4-6H,3H2,1-2H3;3*3-4,6H,5H2,1-2H3.
What are the key properties of 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1768.12 g/mol, XLogP of 10.16, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7H-pyrrolo[2,3-b]pyrazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-c]pyridazin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-c]pyridazin-6-one;1-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-c]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[2,3-d]pyridazin-2-one;5-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157397432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).