(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C15H19FN4O2 — CID 97387281

IUPAC(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESO=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H19FN4O2/c16-10-7-17-14(18-8-10)20-5-3-12-15(9-20,4-6-22-12)13(21)19-11-1-2-11/h7-8,11-12H,1-6,9H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyNIFOWAYOPLTBOZ-IUODEOHRSA-N
MW306.34 g/mol
LogP0.88
Rot. Bonds3

About (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97387281) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97387281
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESO=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H19FN4O2/c16-10-7-17-14(18-8-10)20-5-3-12-15(9-20,4-6-22-12)13(21)19-11-1-2-11/h7-8,11-12H,1-6,9H2,(H,19,21)/t12-,15-/m1/s1
InChIKeyNIFOWAYOPLTBOZ-IUODEOHRSA-N
XLogP0.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

(3aR,7R,7aR)-N-cyclopropyl-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97950055
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]oxolane-3-carboxamide
CID 91626422
3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125233531
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 134689425
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970989
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653299
9-(5-Fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722707
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1-methylpiperidine-3-carboxamide
CID 92099088
2-[(3aR,7S,7aS)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-methylacetamide
CID 97364757
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364980
(3aS,4R,7aS)-6-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364995

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97387281) is (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is NIFOWAYOPLTBOZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-10-7-17-14(18-8-10)20-5-3-12-15(9-20,4-6-22-12)13(21)19-11-1-2-11/h7-8,11-12H,1-6,9H2,(H,19,21)/t12-,15-/m1/s1.
What are the key properties of (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-cyclopropyl-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97387281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).