5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole

C20H17N15 — CID 141299633

IUPAC5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole
SMILESc1c[nH]c(C2(c3ccc[nH]3)C(c3nn[nH]n3)=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2ccn[nH]2)c1
InChIInChI=1S/C20H17N15/c1-3-13(21-6-1)20(14-4-2-7-22-14)16(18-29-32-33-30-18)17(12-11-26-31-27-12)34(19-23-9-10-24-19)35(20)15-5-8-25-28-15/h1-11,21-22H,(H,23,24)(H,25,28)(H,26,27,31)(H,29,30,32,33)
InChIKeyZYHISBIQPNBFCV-UHFFFAOYSA-N
MW467.46 g/mol
LogP1.17
Rot. Bonds6

About 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole

5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole (PubChem CID 141299633) has the molecular formula C20H17N15 and a molecular weight of 467.46 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole
PubChem CID141299633
Molecular FormulaC20H17N15
Molecular Weight467.46 g/mol
Exact Mass467.18
IUPAC Name5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole
SMILESc1c[nH]c(C2(c3ccc[nH]3)C(c3nn[nH]n3)=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2ccn[nH]2)c1
InChIInChI=1S/C20H17N15/c1-3-13(21-6-1)20(14-4-2-7-22-14)16(18-29-32-33-30-18)17(12-11-26-31-27-12)34(19-23-9-10-24-19)35(20)15-5-8-25-28-15/h1-11,21-22H,(H,23,24)(H,25,28)(H,26,27,31)(H,29,30,32,33)
InChIKeyZYHISBIQPNBFCV-UHFFFAOYSA-N
XLogP1.17
TPSA191.45 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.46
LogP ≤ 51.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole with MolForge

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Related Compounds

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
CID 71611283
N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678861
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757801
3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491500
5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137038113
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038821
3-fluoro-N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 137394113
3,5-difluoro-N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 137394125
4-fluoro-N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 137394137
3-fluoro-N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 137394144
N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine
CID 78054634

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole (CID 141299633) is 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole is c1c[nH]c(C2(c3ccc[nH]3)C(c3nn[nH]n3)=C(c3cn[nH]n3)N(c3ncc[nH]3)N2c2ccn[nH]2)c1.
What is the InChIKey of 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole?
The InChIKey is ZYHISBIQPNBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N15/c1-3-13(21-6-1)20(14-4-2-7-22-14)16(18-29-32-33-30-18)17(12-11-26-31-27-12)34(19-23-9-10-24-19)35(20)15-5-8-25-28-15/h1-11,21-22H,(H,23,24)(H,25,28)(H,26,27,31)(H,29,30,32,33).
What are the key properties of 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole?
5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole has a molecular weight of 467.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3,3-bis(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)pyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 141299633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).