2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)

C30H25N5OPt — CID 140742612

IUPAC2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C30H25N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-16,18H,1-4H3;/q-2;+2
InChIKeyFSLACGQAGJSGRH-UHFFFAOYSA-N
MW666.64 g/mol
LogP6.44
Rot. Bonds5

About 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)

2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) (PubChem CID 140742612) has the molecular formula C30H25N5OPt and a molecular weight of 666.64 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+).

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
PubChem CID140742612
Molecular FormulaC30H25N5OPt
Molecular Weight666.64 g/mol
Exact Mass666.17
IUPAC Name2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C30H25N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-16,18H,1-4H3;/q-2;+2
InChIKeyFSLACGQAGJSGRH-UHFFFAOYSA-N
XLogP6.44
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.64
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10954240, Example 47
CID 118930313
Dihydropyrrolopyrazole, 12
CID 21992881
2-Methyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,6]naphthyridine
CID 118708356
9-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-a][2,7]naphthyridine
CID 118708357
1-Benzyl-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168281222
US10954240, Example 3
CID 118930309
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
CID 166629140
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 9
CID 118930220
US10954240, Example 68
CID 118930245
US10954240, Example 50
CID 118930273

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?
The IUPAC name of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) (CID 140742612) is 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+).
What is the SMILES notation for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?
The canonical SMILES for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(N(C)C)ccn3)ccc2)n1.[Pt+2].
What is the InChIKey of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?
The InChIKey is FSLACGQAGJSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O.Pt/c1-20-16-21(2)35(32-20)23-8-7-9-24(17-23)36-25-12-13-27-26-10-5-6-11-28(26)34(29(27)19-25)30-18-22(33(3)4)14-15-31-30;/h5-16,18H,1-4H3;/q-2;+2.
What are the key properties of 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)?
2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) has a molecular weight of 666.64 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+) is sourced from PubChem (CID 140742612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).