4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

C22H25N7O — CID 25256463

IUPAC4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C22H25N7O/c1-2-17(16-6-9-24-18(16)3-1)19-20-21(27-22(26-19)28-10-12-30-13-11-28)29(14-25-20)15-4-7-23-8-5-15/h1-3,6,9,14-15,23-24H,4-5,7-8,10-13H2
InChIKeyMCCOVJLHVOTPCR-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.74
Rot. Bonds3

About 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine

4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (PubChem CID 25256463) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
PubChem CID25256463
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C22H25N7O/c1-2-17(16-6-9-24-18(16)3-1)19-20-21(27-22(26-19)28-10-12-30-13-11-28)29(14-25-20)15-4-7-23-8-5-15/h1-3,6,9,14-15,23-24H,4-5,7-8,10-13H2
InChIKeyMCCOVJLHVOTPCR-UHFFFAOYSA-N
XLogP2.74
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1H-indol-4-yl)-9-pent-1-yn-3-ylpurin-2-yl]morpholine
CID 143785477
5-[9-(1-methylsulfonylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
CID 160686804
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
CID 69090766
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
CID 70254008
4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 143838080
tert-butyl formate;4-(2-chloro-9-piperidin-4-ylpurin-6-yl)morpholine
CID 174595291
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 158970374

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine (CID 25256463) is 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is c1cc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCNCC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
The InChIKey is MCCOVJLHVOTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-17(16-6-9-24-18(16)3-1)19-20-21(27-22(26-19)28-10-12-30-13-11-28)29(14-25-20)15-4-7-23-8-5-15/h1-3,6,9,14-15,23-24H,4-5,7-8,10-13H2.
What are the key properties of 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine?
4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine is sourced from PubChem (CID 25256463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).