(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C18H21N5O3 — CID 97423351

IUPAC(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOc1cc(N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C18H21N5O3/c1-25-16-6-15(21-12-22-16)23-8-13-9-26-11-18(13,10-23)17(24)20-7-14-4-2-3-5-19-14/h2-6,12-13H,7-11H2,1H3,(H,20,24)/t13-,18-/m1/s1
InChIKeyXUJFAGBGOHYDGN-FZKQIMNGSA-N
MW355.40 g/mol
LogP0.65
Rot. Bonds5

About (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97423351) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97423351
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOc1cc(N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)ncn1
InChIInChI=1S/C18H21N5O3/c1-25-16-6-15(21-12-22-16)23-8-13-9-26-11-18(13,10-23)17(24)20-7-14-4-2-3-5-19-14/h2-6,12-13H,7-11H2,1H3,(H,20,24)/t13-,18-/m1/s1
InChIKeyXUJFAGBGOHYDGN-FZKQIMNGSA-N
XLogP0.65
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97423351) is (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is COc1cc(N2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)ncn1.
What is the InChIKey of (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is XUJFAGBGOHYDGN-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-25-16-6-15(21-12-22-16)23-8-13-9-26-11-18(13,10-23)17(24)20-7-14-4-2-3-5-19-14/h2-6,12-13H,7-11H2,1H3,(H,20,24)/t13-,18-/m1/s1.
What are the key properties of (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97423351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).