(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C18H22N4O3 — CID 124794791

IUPAC(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCOc1cc(N2CC[C@@H]3OCC[C@]3(COc3cccnc3)C2)ncn1
InChIInChI=1S/C18H22N4O3/c1-23-17-9-16(20-13-21-17)22-7-4-15-18(11-22,5-8-24-15)12-25-14-3-2-6-19-10-14/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyGRSBGPNIFRTLHX-MAUKXSAKSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 124794791) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID124794791
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCOc1cc(N2CC[C@@H]3OCC[C@]3(COc3cccnc3)C2)ncn1
InChIInChI=1S/C18H22N4O3/c1-23-17-9-16(20-13-21-17)22-7-4-15-18(11-22,5-8-24-15)12-25-14-3-2-6-19-10-14/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyGRSBGPNIFRTLHX-MAUKXSAKSA-N
XLogP1.94
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

(3aS,7aR)-5-(6-methoxypyrimidin-4-yl)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97423381
(4aR,8aS)-4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363005
6-methyl-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131661729
(4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363954
N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124798958
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124893689
(3aS,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97485586
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone
CID 124791193
(3aS,7aR)-N,N-dimethyl-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155852731
[(3aS,7aR)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 97422602
N,N-dimethyl-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 131648028

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 124794791) is (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is COc1cc(N2CC[C@@H]3OCC[C@]3(COc3cccnc3)C2)ncn1.
What is the InChIKey of (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is GRSBGPNIFRTLHX-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-23-17-9-16(20-13-21-17)22-7-4-15-18(11-22,5-8-24-15)12-25-14-3-2-6-19-10-14/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3/t15-,18+/m0/s1.
What are the key properties of (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 124794791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).