(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C19H17N5 — CID 156518939

IUPAC(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1
InChIInChI=1S/C19H17N5/c1-12-7-17(23-13(2)22-12)24-16-8-15(4-3-14(16)9-21-24)19(11-20)10-18(19)5-6-18/h3-4,7-9H,5-6,10H2,1-2H3/t19-/m1/s1
InChIKeyAKVBERHBEIATDF-LJQANCHMSA-N
MW315.38 g/mol
LogP3.38
Rot. Bonds2

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

(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 156518939) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID156518939
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1
InChIInChI=1S/C19H17N5/c1-12-7-17(23-13(2)22-12)24-16-8-15(4-3-14(16)9-21-24)19(11-20)10-18(19)5-6-18/h3-4,7-9H,5-6,10H2,1-2H3/t19-/m1/s1
InChIKeyAKVBERHBEIATDF-LJQANCHMSA-N
XLogP3.38
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550248
5-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550552
5-[1-[6-(6-Hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 155557829
5-[1-[6-[3-(2-Hydroxypropan-2-yl)azetidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550167
5-[1-[6-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550388
US11161854, Example 2.8-1
CID 138544189
US11161854, Example 4.16
CID 142556771
US11161854, Example 4.12-2
CID 157540275
7-(3,5-Dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 665932
5-Methyl-3,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 832119
4-(4-Methyl-3-pyridinyl)-1-pyridin-2-ylindazole
CID 127031979
3-Indazol-1-yl-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
CID 137637244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 156518939) is (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is Cc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1.
What is the InChIKey of (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is AKVBERHBEIATDF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17N5/c1-12-7-17(23-13(2)22-12)24-16-8-15(4-3-14(16)9-21-24)19(11-20)10-18(19)5-6-18/h3-4,7-9H,5-6,10H2,1-2H3/t19-/m1/s1.
What are the key properties of (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
(2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,6-dimethylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 156518939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).