(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C24H26N6O2 — CID 156518811

IUPAC(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCC(C)(O)C1CN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)CCO1
InChIInChI=1S/C24H26N6O2/c1-22(2,31)19-12-29(7-8-32-19)20-10-21(27-15-26-20)30-18-9-17(4-3-16(18)11-28-30)24(14-25)13-23(24)5-6-23/h3-4,9-11,15,19,31H,5-8,12-13H2,1-2H3/t19?,24-/m1/s1
InChIKeyRPEZQGKMESHARW-JKSFWZLDSA-N
MW430.51 g/mol
LogP2.74
Rot. Bonds4

About (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 156518811) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID156518811
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCC(C)(O)C1CN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)CCO1
InChIInChI=1S/C24H26N6O2/c1-22(2,31)19-12-29(7-8-32-19)20-10-21(27-15-26-20)30-18-9-17(4-3-16(18)11-28-30)24(14-25)13-23(24)5-6-23/h3-4,9-11,15,19,31H,5-8,12-13H2,1-2H3/t19?,24-/m1/s1
InChIKeyRPEZQGKMESHARW-JKSFWZLDSA-N
XLogP2.74
TPSA100.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 156518811) is (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is CC(C)(O)C1CN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)CCO1.
What is the InChIKey of (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is RPEZQGKMESHARW-JKSFWZLDSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-22(2,31)19-12-29(7-8-32-19)20-10-21(27-15-26-20)30-18-9-17(4-3-16(18)11-28-30)24(14-25)13-23(24)5-6-23/h3-4,9-11,15,19,31H,5-8,12-13H2,1-2H3/t19?,24-/m1/s1.
What are the key properties of (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
(2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 430.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 156518811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).