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

C20H19N5 — CID 156519014

IUPAC(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1
InChIInChI=1S/C20H19N5/c1-3-16-9-18(24-13(2)23-16)25-17-8-15(5-4-14(17)10-22-25)20(12-21)11-19(20)6-7-19/h4-5,8-10H,3,6-7,11H2,1-2H3/t20-/m1/s1
InChIKeyACWGZTLBGIXDDW-HXUWFJFHSA-N
MW329.41 g/mol
LogP3.63
Rot. Bonds3

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

(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 156519014) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID156519014
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1
InChIInChI=1S/C20H19N5/c1-3-16-9-18(24-13(2)23-16)25-17-8-15(5-4-14(17)10-22-25)20(12-21)11-19(20)6-7-19/h4-5,8-10H,3,6-7,11H2,1-2H3/t20-/m1/s1
InChIKeyACWGZTLBGIXDDW-HXUWFJFHSA-N
XLogP3.63
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 156519014) is (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is CCc1cc(-n2ncc3ccc([C@]4(C#N)CC45CC5)cc32)nc(C)n1.
What is the InChIKey of (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is ACWGZTLBGIXDDW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-16-9-18(24-13(2)23-16)25-17-8-15(5-4-14(17)10-22-25)20(12-21)11-19(20)6-7-19/h4-5,8-10H,3,6-7,11H2,1-2H3/t20-/m1/s1.
What are the key properties of (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
(2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(6-ethyl-2-methylpyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 156519014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).