5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C25H29N7O2 — CID 71523137

IUPAC5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC[C@@H]1COCCN1c1nc(N2CCC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C25H29N7O2/c1-15-12-33-10-9-32(15)24-21-23(28-22(27-21)19-3-2-4-20-18(19)5-7-26-20)29-25(30-24)31-8-6-16-13-34-14-17(16)11-31/h2-5,7,15-17,26H,6,8-14H2,1H3,(H,27,28,29,30)/t15-,16?,17?/m1/s1
InChIKeyZMPIPOHWMDLLKV-KLAILNCOSA-N
MW459.55 g/mol
LogP3.20
Rot. Bonds3

About 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 71523137) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID71523137
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESC[C@@H]1COCCN1c1nc(N2CCC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12
InChIInChI=1S/C25H29N7O2/c1-15-12-33-10-9-32(15)24-21-23(28-22(27-21)19-3-2-4-20-18(19)5-7-26-20)29-25(30-24)31-8-6-16-13-34-14-17(16)11-31/h2-5,7,15-17,26H,6,8-14H2,1H3,(H,27,28,29,30)/t15-,16?,17?/m1/s1
InChIKeyZMPIPOHWMDLLKV-KLAILNCOSA-N
XLogP3.20
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 71523137) is 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is C[C@@H]1COCCN1c1nc(N2CCC3COCC3C2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12.
What is the InChIKey of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is ZMPIPOHWMDLLKV-KLAILNCOSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-15-12-33-10-9-32(15)24-21-23(28-22(27-21)19-3-2-4-20-18(19)5-7-26-20)29-25(30-24)31-8-6-16-13-34-14-17(16)11-31/h2-5,7,15-17,26H,6,8-14H2,1H3,(H,27,28,29,30)/t15-,16?,17?/m1/s1.
What are the key properties of 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 459.55 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 71523137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).