2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine

C34H30N20 — CID 159073087

IUPAC2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESc1cc2c(cn1)CNN2.c1ccn2ccnc2c1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/C7H6N2.C6H7N3.C6H5N3.3C5H4N4/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-3-5-4-8-9-6(1)5;1-2-8-6-3-7-4-9-5(1)6;1-5-4(2-8-9-5)7-3-6-1;1-4-5(8-2-6-1)9-3-7-4;1-4-2-8-9-5(4)7-3-6-1/h1-6H;1-3,8-9H,4H2;1-4,8H;1-3H,(H,8,9);2*1-3H,(H,6,7,8,9)
InChIKeyJZXIDZFJIYMKCN-UHFFFAOYSA-N
MW718.75 g/mol
LogP3.86
Rot. Bonds

About 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine

2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 159073087) has the molecular formula C34H30N20 and a molecular weight of 718.75 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
PubChem CID159073087
Molecular FormulaC34H30N20
Molecular Weight718.75 g/mol
Exact Mass718.30
IUPAC Name2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESc1cc2c(cn1)CNN2.c1ccn2ccnc2c1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1
InChIInChI=1S/C7H6N2.C6H7N3.C6H5N3.3C5H4N4/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-3-5-4-8-9-6(1)5;1-2-8-6-3-7-4-9-5(1)6;1-5-4(2-8-9-5)7-3-6-1;1-4-5(8-2-6-1)9-3-7-4;1-4-2-8-9-5(4)7-3-6-1/h1-6H;1-3,8-9H,4H2;1-4,8H;1-3H,(H,8,9);2*1-3H,(H,6,7,8,9)
InChIKeyJZXIDZFJIYMKCN-UHFFFAOYSA-N
XLogP3.86
TPSA259.20 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.75
LogP ≤ 53.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

ethane;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine
CID 144792699
cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
CID 157407086
1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine
CID 158094702
6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;1H-imidazo[4,5-b]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 159212472
6,7-dihydro-5H-cyclopenta[d]pyrimidine;6,8-dihydro-5H-pyrano[3,4-d]pyrimidine;bis(1H-indole);octadecakis(2-methylpropane);phthalazine;7H-purine;bis(pyridine);pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimidine;5H-pyrrolo[3,2-d]pyrimidine;quinazoline;5,6,7,8-tetrahydroquinazoline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 162248252
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
CID 174832264
azetidine;5H-pyrrolo[3,2-d]pyrimidine
CID 174391261
7H-purine;thieno[2,3-b]pyridine
CID 144552506
1H-imidazo[4,5-b]pyridine;1H-indole
CID 68595102
formonitrile;1H-pyrazolo[4,3-d]pyrimidine
CID 159271837
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 158039060
7H-purine;trihydrochloride
CID 141012213

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine (CID 159073087) is 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine is c1cc2c(cn1)CNN2.c1ccn2ccnc2c1.c1ncc2[nH]ccc2n1.c1ncc2[nH]cnc2n1.c1ncc2[nH]ncc2n1.c1ncc2cn[nH]c2n1.
What is the InChIKey of 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is JZXIDZFJIYMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H7N3.C6H5N3.3C5H4N4/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-3-5-4-8-9-6(1)5;1-2-8-6-3-7-4-9-5(1)6;1-5-4(2-8-9-5)7-3-6-1;1-4-5(8-2-6-1)9-3-7-4;1-4-2-8-9-5(4)7-3-6-1/h1-6H;1-3,8-9H,4H2;1-4,8H;1-3H,(H,8,9);2*1-3H,(H,6,7,8,9).
What are the key properties of 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine?
2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 718.75 g/mol, XLogP of 3.86, 0 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 159073087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).