6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole

C20H19N5 — CID 141284413

IUPAC6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
SMILESc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C20H19N5/c1-2-17(21-9-1)20-22-12-19(24-20)14-5-3-13(4-6-14)15-7-8-16-11-23-25-18(16)10-15/h3-8,10-12,17,21H,1-2,9H2,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyHHWWEVXYOPPJPK-KRWDZBQOSA-N
MW329.41 g/mol
LogP4.04
Rot. Bonds3

About 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole

6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole (PubChem CID 141284413) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole.

Molecular Properties

Compound Name6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
PubChem CID141284413
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
SMILESc1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C20H19N5/c1-2-17(21-9-1)20-22-12-19(24-20)14-5-3-13(4-6-14)15-7-8-16-11-23-25-18(16)10-15/h3-8,10-12,17,21H,1-2,9H2,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyHHWWEVXYOPPJPK-KRWDZBQOSA-N
XLogP4.04
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 150236542
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[(2S)-pyrrolidin-2-yl]-5-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172682436
CID 144634079
CID 144634079

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole?
The IUPAC name of 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole (CID 141284413) is 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole.
What is the SMILES notation for 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole?
The canonical SMILES for 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole is c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole?
The InChIKey is HHWWEVXYOPPJPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N5/c1-2-17(21-9-1)20-22-12-19(24-20)14-5-3-13(4-6-14)15-7-8-16-11-23-25-18(16)10-15/h3-8,10-12,17,21H,1-2,9H2,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole?
6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole has a molecular weight of 329.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole is sourced from PubChem (CID 141284413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).