6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride

C27H28ClN9 — CID 57462088

IUPAC6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride
SMILESCl.c1cc(-c2ncc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3n2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C27H27N9.ClH/c1-3-20(28-9-1)25-32-14-23(35-25)16-5-7-19-18(11-16)13-31-27(34-19)22-8-6-17(12-30-22)24-15-33-26(36-24)21-4-2-10-29-21;/h5-8,11-15,20-21,28-29H,1-4,9-10H2,(H,32,35)(H,33,36);1H/t20-,21-;/m0./s1
InChIKeyZAJYFGRNEAOMTD-GUTACTQSSA-N
MW514.04 g/mol
LogP4.74
Rot. Bonds5

About 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride

6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride (PubChem CID 57462088) has the molecular formula C27H28ClN9 and a molecular weight of 514.04 g/mol. Its IUPAC name is 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride.

Molecular Properties

Compound Name6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride
PubChem CID57462088
Molecular FormulaC27H28ClN9
Molecular Weight514.04 g/mol
Exact Mass513.22
IUPAC Name6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride
SMILESCl.c1cc(-c2ncc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3n2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C27H27N9.ClH/c1-3-20(28-9-1)25-32-14-23(35-25)16-5-7-19-18(11-16)13-31-27(34-19)22-8-6-17(12-30-22)24-15-33-26(36-24)21-4-2-10-29-21;/h5-8,11-15,20-21,28-29H,1-4,9-10H2,(H,32,35)(H,33,36);1H/t20-,21-;/m0./s1
InChIKeyZAJYFGRNEAOMTD-GUTACTQSSA-N
XLogP4.74
TPSA120.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.04
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172682436
4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride
CID 57462081
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650666
2-[(2S)-pyrrolidin-2-yl]-5-[9,9,10,10-tetrafluoro-7-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenanthren-2-yl]-1H-imidazole
CID 118220423
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
CID 59481316

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride?
The IUPAC name of 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride (CID 57462088) is 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride.
What is the SMILES notation for 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride?
The canonical SMILES for 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride is Cl.c1cc(-c2ncc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3n2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride?
The InChIKey is ZAJYFGRNEAOMTD-GUTACTQSSA-N. The full InChI is InChI=1S/C27H27N9.ClH/c1-3-20(28-9-1)25-32-14-23(35-25)16-5-7-19-18(11-16)13-31-27(34-19)22-8-6-17(12-30-22)24-15-33-26(36-24)21-4-2-10-29-21;/h5-8,11-15,20-21,28-29H,1-4,9-10H2,(H,32,35)(H,33,36);1H/t20-,21-;/m0./s1.
What are the key properties of 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride?
6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride has a molecular weight of 514.04 g/mol, XLogP of 4.74, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride is sourced from PubChem (CID 57462088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).