4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine

C23H28N6O2 — CID 164697920

IUPAC4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1
InChIInChI=1S/C23H28N6O2/c24-22-26-19(15-20(27-22)29-10-13-30-14-11-29)28-8-6-23(7-9-28)21-17(5-12-31-23)16-3-1-2-4-18(16)25-21/h1-4,15,25H,5-14H2,(H2,24,26,27)
InChIKeyAUUGCFXHAMUCSC-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.45
Rot. Bonds2

About 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine

4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine (PubChem CID 164697920) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine
PubChem CID164697920
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1
InChIInChI=1S/C23H28N6O2/c24-22-26-19(15-20(27-22)29-10-13-30-14-11-29)28-8-6-23(7-9-28)21-17(5-12-31-23)16-3-1-2-4-18(16)25-21/h1-4,15,25H,5-14H2,(H2,24,26,27)
InChIKeyAUUGCFXHAMUCSC-UHFFFAOYSA-N
XLogP2.45
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine
CID 135113526
morpholin-4-yl-(6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrazin-2-yl)methanone
CID 164692746
(2-morpholin-4-ylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 162632741
N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine
CID 135120253
1-methyl-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl-1,2,4-triazole-3-carboxylic acid
CID 163306903
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
3-(2-amino-1,3-thiazol-4-yl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 135099521
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
CID 118711493

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine (CID 164697920) is 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine is Nc1nc(N2CCOCC2)cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1.
What is the InChIKey of 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine?
The InChIKey is AUUGCFXHAMUCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-22-26-19(15-20(27-22)29-10-13-30-14-11-29)28-8-6-23(7-9-28)21-17(5-12-31-23)16-3-1-2-4-18(16)25-21/h1-4,15,25H,5-14H2,(H2,24,26,27).
What are the key properties of 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine?
4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine has a molecular weight of 420.52 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine is sourced from PubChem (CID 164697920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).