2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile

C20H15N5 — CID 175911527

IUPAC2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile
SMILESN#CC1C2(CC2)C1(c1[nH]nc2ccccc12)c1[nH]nc2ccccc12
InChIInChI=1S/C20H15N5/c21-11-16-19(9-10-19)20(16,17-12-5-1-3-7-14(12)22-24-17)18-13-6-2-4-8-15(13)23-25-18/h1-8,16H,9-10H2,(H,22,24)(H,23,25)
InChIKeyCRUUKQCHNQCJHQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.66
Rot. Bonds2

About 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile

2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile (PubChem CID 175911527) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile.

Molecular Properties

Compound Name2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile
PubChem CID175911527
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile
SMILESN#CC1C2(CC2)C1(c1[nH]nc2ccccc12)c1[nH]nc2ccccc12
InChIInChI=1S/C20H15N5/c21-11-16-19(9-10-19)20(16,17-12-5-1-3-7-14(12)22-24-17)18-13-6-2-4-8-15(13)23-25-18/h1-8,16H,9-10H2,(H,22,24)(H,23,25)
InChIKeyCRUUKQCHNQCJHQ-UHFFFAOYSA-N
XLogP3.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantyl)-2H-indazole
CID 118536032
3-(1-methylcyclononyl)-2H-indazole
CID 173176803
[1-(2H-indazol-3-yl)cyclopentyl]methanamine
CID 82613671
3-(2-methylthietan-2-yl)-2H-indazole
CID 163633668
3,4-dihydroxy-4-(2H-indazol-3-yl)butanenitrile
CID 171901126
2H-indazol-3-yl(methyl)tin
CID 141081800
4-(2H-indazol-3-yl)-4-phenylbutanenitrile
CID 123384854
3-(2-phenylethynyl)-2H-indazole
CID 20644743
ethane;3-propan-2-yl-2H-indazole
CID 167622577
1-(2H-indazol-3-yl)ethanol
CID 119095207
molecular hydrogen;3-(2-phenylethynyl)-2H-indazole
CID 143801552
[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197172

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile?
The IUPAC name of 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile (CID 175911527) is 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile.
What is the SMILES notation for 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile?
The canonical SMILES for 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile is N#CC1C2(CC2)C1(c1[nH]nc2ccccc12)c1[nH]nc2ccccc12.
What is the InChIKey of 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile?
The InChIKey is CRUUKQCHNQCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-11-16-19(9-10-19)20(16,17-12-5-1-3-7-14(12)22-24-17)18-13-6-2-4-8-15(13)23-25-18/h1-8,16H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile?
2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2H-indazol-3-yl)spiro[2.2]pentane-1-carbonitrile is sourced from PubChem (CID 175911527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).