2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C17H12ClN5 — CID 138544226

IUPAC2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESN#CC1(c2ccc3cnn(-c4cc(Cl)ncn4)c3c2)CC12CC2
InChIInChI=1S/C17H12ClN5/c18-14-6-15(21-10-20-14)23-13-5-12(2-1-11(13)7-22-23)17(9-19)8-16(17)3-4-16/h1-2,5-7,10H,3-4,8H2
InChIKeyCOPFKUQTKUZKNB-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.41
Rot. Bonds2

About 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 138544226) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID138544226
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESN#CC1(c2ccc3cnn(-c4cc(Cl)ncn4)c3c2)CC12CC2
InChIInChI=1S/C17H12ClN5/c18-14-6-15(21-10-20-14)23-13-5-12(2-1-11(13)7-22-23)17(9-19)8-16(17)3-4-16/h1-2,5-7,10H,3-4,8H2
InChIKeyCOPFKUQTKUZKNB-UHFFFAOYSA-N
XLogP3.41
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544336
(2S)-2-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518841
(2S)-2-[1-[6-[(2R,3S)-3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550516
(2S)-2-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550614
2-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544188
(2S)-2-[1-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518851
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156519014
2-[1-(2-fluoro-6-methyl-4-pyridinyl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556867
(2S)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methoxypyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550530
(2R)-2-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfanylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 175911545
2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556755
(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 162451568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 138544226) is 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is N#CC1(c2ccc3cnn(-c4cc(Cl)ncn4)c3c2)CC12CC2.
What is the InChIKey of 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is COPFKUQTKUZKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-14-6-15(21-10-20-14)23-13-5-12(2-1-11(13)7-22-23)17(9-19)8-16(17)3-4-16/h1-2,5-7,10H,3-4,8H2.
What are the key properties of 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 321.77 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 138544226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).