9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane

C23H35N5O2 — CID 131709720

IUPAC9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC1(OC2CCC3NNC(c4cc(N5CCOC6(CCCC6)C5)ncn4)C3C2)CC1
InChIInChI=1S/C23H35N5O2/c1-22(8-9-22)30-16-4-5-18-17(12-16)21(27-26-18)19-13-20(25-15-24-19)28-10-11-29-23(14-28)6-2-3-7-23/h13,15-18,21,26-27H,2-12,14H2,1H3
InChIKeyOSSNKZIKEGMAEI-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.88
Rot. Bonds4

About 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane

9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 131709720) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID131709720
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC1(OC2CCC3NNC(c4cc(N5CCOC6(CCCC6)C5)ncn4)C3C2)CC1
InChIInChI=1S/C23H35N5O2/c1-22(8-9-22)30-16-4-5-18-17(12-16)21(27-26-18)19-13-20(25-15-24-19)28-10-11-29-23(14-28)6-2-3-7-23/h13,15-18,21,26-27H,2-12,14H2,1H3
InChIKeyOSSNKZIKEGMAEI-UHFFFAOYSA-N
XLogP2.88
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

5-(1-methylcyclopropyl)oxy-3-[6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 131709767
5-(1-methylcyclopropyl)oxy-3-[6-(3-methylsulfonylazetidin-1-yl)pyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 131709633
2-cyclopropyl-5-[4-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3,4-oxadiazole
CID 131709687
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 131709766
(2S,3S,4S)-2-methyl-1-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 131709834
(2R)-4-[6-(5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 134822793
(2R)-4-[6-[5-(3-ethyloxetan-3-yl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 131709814
3-(6-piperazin-1-ylpyrimidin-4-yl)-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134822731
4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-(methoxymethyl)morpholine
CID 131709789
(3R)-1-[6-(5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 134822753
1-methyl-4-[6-(5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 134822724
[4-fluoro-1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 131709803

Frequently Asked Questions

What is the IUPAC name of 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane (CID 131709720) is 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane is CC1(OC2CCC3NNC(c4cc(N5CCOC6(CCCC6)C5)ncn4)C3C2)CC1.
What is the InChIKey of 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is OSSNKZIKEGMAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-22(8-9-22)30-16-4-5-18-17(12-16)21(27-26-18)19-13-20(25-15-24-19)28-10-11-29-23(14-28)6-2-3-7-23/h13,15-18,21,26-27H,2-12,14H2,1H3.
What are the key properties of 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane?
9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 413.57 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[5-(1-methylcyclopropyl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 131709720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).