8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

C24H27N5 — CID 146482573

IUPAC8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CCCC3)CC2)n2ccnc2c1-c1cccc2cc[nH]c12
InChIInChI=1S/C24H27N5/c1-17-20(19-6-4-5-18-7-12-25-21(18)19)22-26-13-16-29(22)23(27-17)28-14-10-24(11-15-28)8-2-3-9-24/h4-7,12-13,16,25H,2-3,8-11,14-15H2,1H3
InChIKeyIPCIRHBPCHSUDJ-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.35
Rot. Bonds2

About 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane

8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (PubChem CID 146482573) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
PubChem CID146482573
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CCCC3)CC2)n2ccnc2c1-c1cccc2cc[nH]c12
InChIInChI=1S/C24H27N5/c1-17-20(19-6-4-5-18-7-12-25-21(18)19)22-26-13-16-29(22)23(27-17)28-14-10-24(11-15-28)8-2-3-9-24/h4-7,12-13,16,25H,2-3,8-11,14-15H2,1H3
InChIKeyIPCIRHBPCHSUDJ-UHFFFAOYSA-N
XLogP5.35
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane (CID 146482573) is 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is Cc1nc(N2CCC3(CCCC3)CC2)n2ccnc2c1-c1cccc2cc[nH]c12.
What is the InChIKey of 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
The InChIKey is IPCIRHBPCHSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-17-20(19-6-4-5-18-7-12-25-21(18)19)22-26-13-16-29(22)23(27-17)28-14-10-24(11-15-28)8-2-3-9-24/h4-7,12-13,16,25H,2-3,8-11,14-15H2,1H3.
What are the key properties of 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane?
8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane has a molecular weight of 385.52 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(1H-indol-7-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 146482573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).