(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C17H18FN5O2 — CID 124783186

IUPAC(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1
InChIInChI=1S/C17H18FN5O2/c18-12-7-20-17(21-8-12)23-5-3-11-6-14(25-15(11)10-23)16(24)22-13-2-1-4-19-9-13/h1-2,4,7-9,11,14-15H,3,5-6,10H2,(H,22,24)/t11-,14+,15+/m1/s1
InChIKeyYSNCEZDEOKHRRM-UGFHNGPFSA-N
MW343.36 g/mol
LogP1.63
Rot. Bonds3

About (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124783186) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124783186
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1
InChIInChI=1S/C17H18FN5O2/c18-12-7-20-17(21-8-12)23-5-3-11-6-14(25-15(11)10-23)16(24)22-13-2-1-4-19-9-13/h1-2,4,7-9,11,14-15H,3,5-6,10H2,(H,22,24)/t11-,14+,15+/m1/s1
InChIKeyYSNCEZDEOKHRRM-UGFHNGPFSA-N
XLogP1.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

(3aR,7S,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97362642
(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97364673
(3R,4aR,8aS)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366434
(2R,3aS,7aS)-N-(pyridin-3-ylmethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366538
N-[[(1R,3aR,7aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97459893
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461449
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461467
N-[[(3S,3aR,7aR)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 98777340
N-[[(1S,3aR,7aR)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 98777627
(2S,3aS,7aR)-6-(5-fluoropyrimidin-2-yl)-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 98811082
N-(3-methylphenyl)-4-[1-(tetrahydrofuran-2-ylcarbonyl)piperidin-3-yl]pyrimidin-2-amine
CID 53139980
N-butyl-1-[5-(oxolane-2-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842342

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124783186) is (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1C[C@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1.
What is the InChIKey of (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YSNCEZDEOKHRRM-UGFHNGPFSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-12-7-20-17(21-8-12)23-5-3-11-6-14(25-15(11)10-23)16(24)22-13-2-1-4-19-9-13/h1-2,4,7-9,11,14-15H,3,5-6,10H2,(H,22,24)/t11-,14+,15+/m1/s1.
What are the key properties of (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).