6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole

C31H28ClN13 — CID 160683102

IUPAC6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole
SMILESCC1=NCC=C1.Cc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1
InChIInChI=1S/C15H13N7.C11H8ClN5.C5H7N/c1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-5-3-2-4-6-5/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);2-3H,4H2,1H3
InChIKeyROKGUTLYJIPDIG-UHFFFAOYSA-N
MW618.11 g/mol
LogP5.37
Rot. Bonds3

About 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole

6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole (PubChem CID 160683102) has the molecular formula C31H28ClN13 and a molecular weight of 618.11 g/mol. Its IUPAC name is 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole.

Molecular Properties

Compound Name6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole
PubChem CID160683102
Molecular FormulaC31H28ClN13
Molecular Weight618.11 g/mol
Exact Mass617.23
IUPAC Name6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole
SMILESCC1=NCC=C1.Cc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1
InChIInChI=1S/C15H13N7.C11H8ClN5.C5H7N/c1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-5-3-2-4-6-5/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);2-3H,4H2,1H3
InChIKeyROKGUTLYJIPDIG-UHFFFAOYSA-N
XLogP5.37
TPSA191.14 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.11
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole with MolForge

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Related Compounds

3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-(1-(1-((2-Chloro-6-methylpyridin-4-yl)methyl)-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11422298
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
US10485800, Cmpd ID FS
CID 54765268
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole?
The IUPAC name of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole (CID 160683102) is 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole.
What is the SMILES notation for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole?
The canonical SMILES for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole is CC1=NCC=C1.Cc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole?
The InChIKey is ROKGUTLYJIPDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7.C11H8ClN5.C5H7N/c1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-5-3-2-4-6-5/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);2-3H,4H2,1H3.
What are the key properties of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole?
6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole has a molecular weight of 618.11 g/mol, XLogP of 5.37, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-methyl-2H-pyrrole is sourced from PubChem (CID 160683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).