copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)

C44H30CuN8 — CID 139197589

IUPACcopper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)
SMILESC1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.[Cu+2]
InChIInChI=1S/2C22H15N4.Cu/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;/h2*1-14H,(H,25,26);/q2*-1;+2/b2*21-19-;
InChIKeyKIHFIQRLKPRRCM-UIZLRWRNSA-N
MW734.33 g/mol
LogP9.17
Rot. Bonds6

About copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)

copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine) (PubChem CID 139197589) has the molecular formula C44H30CuN8 and a molecular weight of 734.33 g/mol. Its IUPAC name is copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine).

Molecular Properties

Compound Namecopper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)
PubChem CID139197589
Molecular FormulaC44H30CuN8
Molecular Weight734.33 g/mol
Exact Mass733.19
IUPAC Namecopper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)
SMILESC1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.[Cu+2]
InChIInChI=1S/2C22H15N4.Cu/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;/h2*1-14H,(H,25,26);/q2*-1;+2/b2*21-19-;
InChIKeyKIHFIQRLKPRRCM-UIZLRWRNSA-N
XLogP9.17
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.33
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
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4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
Pyrrolopyrimidine, 13a
CID 11996316
Urmc-099
CID 54764565
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
Pyrrolopyrimidine, 13i
CID 24971385
4-Butyl-6-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
CID 25110819
[3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]methanamine
CID 137648385
N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647030

Frequently Asked Questions

What is the IUPAC name of copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)?
The IUPAC name of copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine) (CID 139197589) is copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine).
What is the SMILES notation for copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)?
The canonical SMILES for copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine) is C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[n-]2)N=C1.[Cu+2].
What is the InChIKey of copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)?
The InChIKey is KIHFIQRLKPRRCM-UIZLRWRNSA-N. The full InChI is InChI=1S/2C22H15N4.Cu/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;/h2*1-14H,(H,25,26);/q2*-1;+2/b2*21-19-;.
What are the key properties of copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)?
copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine) has a molecular weight of 734.33 g/mol, XLogP of 9.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 139197589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).