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

C19H25N5O2 — CID 97422306

IUPAC(3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H25N5O2/c1-22(11-17-5-3-4-6-20-17)18(25)19-13-24(10-16(19)12-26-14-19)9-15-7-21-23(2)8-15/h3-8,16H,9-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyKRTSYOFYMOKACS-VQIMIIECSA-N
MW355.44 g/mol
LogP0.92
Rot. Bonds5

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

(3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422306) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422306
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H25N5O2/c1-22(11-17-5-3-4-6-20-17)18(25)19-13-24(10-16(19)12-26-14-19)9-15-7-21-23(2)8-15/h3-8,16H,9-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyKRTSYOFYMOKACS-VQIMIIECSA-N
XLogP0.92
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-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)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422306) is (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-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)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is CN(Cc1ccccn1)C(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2.
What is the InChIKey of (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is KRTSYOFYMOKACS-VQIMIIECSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(11-17-5-3-4-6-20-17)18(25)19-13-24(10-16(19)12-26-14-19)9-15-7-21-23(2)8-15/h3-8,16H,9-14H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).