5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

C23H24N6O — CID 163646776

IUPAC5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(C5(C#N)CC6(CC6)C5)cc43)ncn2)CCO1
InChIInChI=1S/C23H24N6O/c1-16-11-28(6-7-30-16)20-9-21(26-15-25-20)29-19-8-18(3-2-17(19)10-27-29)23(14-24)12-22(13-23)4-5-22/h2-3,8-10,15-16H,4-7,11-13H2,1H3/t16-/m1/s1
InChIKeyIIWYJRZNRGFBQX-MRXNPFEDSA-N
MW400.49 g/mol
LogP3.38
Rot. Bonds3

About 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile

5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (PubChem CID 163646776) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.

Molecular Properties

Compound Name5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
PubChem CID163646776
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(C5(C#N)CC6(CC6)C5)cc43)ncn2)CCO1
InChIInChI=1S/C23H24N6O/c1-16-11-28(6-7-30-16)20-9-21(26-15-25-20)29-19-8-18(3-2-17(19)10-27-29)23(14-24)12-22(13-23)4-5-22/h2-3,8-10,15-16H,4-7,11-13H2,1H3/t16-/m1/s1
InChIKeyIIWYJRZNRGFBQX-MRXNPFEDSA-N
XLogP3.38
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138550614
1-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
5-[1-[6-(3-fluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550732
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-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518841
5-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfanylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138544669
5-[1-[6-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 166471719
5-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylsulfonylpyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138545371
(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
(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine
CID 142556922
N-[[(2S)-2-[1-[6-[(3R,5S)-3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentan-2-yl]methyl]methanimine
CID 156518507
2-[1-(6-chloropyrimidin-4-yl)indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544226

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The IUPAC name of 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile (CID 163646776) is 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile.
What is the SMILES notation for 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The canonical SMILES for 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is C[C@@H]1CN(c2cc(-n3ncc4ccc(C5(C#N)CC6(CC6)C5)cc43)ncn2)CCO1.
What is the InChIKey of 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
The InChIKey is IIWYJRZNRGFBQX-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-11-28(6-7-30-16)20-9-21(26-15-25-20)29-19-8-18(3-2-17(19)10-27-29)23(14-24)12-22(13-23)4-5-22/h2-3,8-10,15-16H,4-7,11-13H2,1H3/t16-/m1/s1.
What are the key properties of 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile?
5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile is sourced from PubChem (CID 163646776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).