ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine

C99H110N34 — CID 157497065

IUPACethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine
SMILESCC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2nn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2nn1.c1cc2cnncc2[nH]1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1ncc2[nH]ccc2n1
InChIInChI=1S/4C7H6N2.5C6H5N3.C5H5N.3C4H4N2.4C4H5N.4C2H6/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-3-7-5-2-4-8-9-6(1)5;1-3-7-6-5(1)2-4-8-9-6;1-2-8-6-3-7-4-9-5(1)6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;4*1-2/h3*1-5,9H;1-5H,(H,8,9);1-4,7H;1-4H,(H,7,9);1-4,8H;1-4,7H;1-4H,(H,8,9);1-5H;3*1-4H;4*1-5H;4*1-2H3
InChIKeyBXYPVAQJDMPAAC-UHFFFAOYSA-N
MW1776.21 g/mol
LogP21.72
Rot. Bonds

About ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine

ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 157497065) has the molecular formula C99H110N34 and a molecular weight of 1776.21 g/mol. Its IUPAC name is ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine
PubChem CID157497065
Molecular FormulaC99H110N34
Molecular Weight1776.21 g/mol
Exact Mass1774.97
IUPAC Nameethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine
SMILESCC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2nn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2nn1.c1cc2cnncc2[nH]1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1ncc2[nH]ccc2n1
InChIInChI=1S/4C7H6N2.5C6H5N3.C5H5N.3C4H4N2.4C4H5N.4C2H6/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-3-7-5-2-4-8-9-6(1)5;1-3-7-6-5(1)2-4-8-9-6;1-2-8-6-3-7-4-9-5(1)6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;4*1-2/h3*1-5,9H;1-5H,(H,8,9);1-4,7H;1-4H,(H,7,9);1-4,8H;1-4,7H;1-4H,(H,8,9);1-5H;3*1-4H;4*1-5H;4*1-2H3
InChIKeyBXYPVAQJDMPAAC-UHFFFAOYSA-N
XLogP21.72
TPSA475.96 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001776.21
LogP ≤ 521.72
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

Vactosertib
CID 54766013
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
4-(1-Methylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58266791
Ipivivint
CID 136213660
3-[1-[[4-[3-amino-1-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[3,4-b]pyridin-6-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11296432
6-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24871821
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyridazin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44546490
N-[3-(2-methyl-7H-purin-6-yl)-2-pyridinyl]-1H-indazol-4-amine
CID 49785079
3-[4-[4-(2-Pyrazol-1-ylethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile
CID 53341057
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766012
N-(3-Fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo[1,5-a]pyridin-6-yl-1H-imidazole-2-methanamine
CID 54766164

Frequently Asked Questions

What is the IUPAC name of ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine (CID 157497065) is ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine is CC.CC.CC.CC.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2nn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2nn1.c1cc2cnncc2[nH]1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2cc[nH]c2c1.c1cnccn1.c1cncnc1.c1ncc2[nH]ccc2n1.
What is the InChIKey of ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is BXYPVAQJDMPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H6N2.5C6H5N3.C5H5N.3C4H4N2.4C4H5N.4C2H6/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-3-7-5-2-4-8-9-6(1)5;1-3-7-6-5(1)2-4-8-9-6;1-2-8-6-3-7-4-9-5(1)6;1-2-7-6-4-9-8-3-5(1)6;1-2-8-6-5(1)7-3-4-9-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;4*1-2/h3*1-5,9H;1-5H,(H,8,9);1-4,7H;1-4H,(H,7,9);1-4,8H;1-4,7H;1-4H,(H,8,9);1-5H;3*1-4H;4*1-5H;4*1-2H3.
What are the key properties of ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine?
ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 1776.21 g/mol, XLogP of 21.72, 0 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrazine;pyridazine;pyridine;pyrimidine;tetrakis(1H-pyrrole);5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,2-c]pyridazine;7H-pyrrolo[2,3-c]pyridazine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[2,3-d]pyridazine;5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 157497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).