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

C15H21FN4O2 — CID 125233531

IUPAC(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O2/c1-10(2)19-13(21)15-4-6-22-12(15)3-5-20(9-15)14-17-7-11(16)8-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyPGSXBZYEMPWJFH-DOMZBBRYSA-N
MW308.36 g/mol
LogP1.13
Rot. Bonds3

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

(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 125233531) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID125233531
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O2/c1-10(2)19-13(21)15-4-6-22-12(15)3-5-20(9-15)14-17-7-11(16)8-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyPGSXBZYEMPWJFH-DOMZBBRYSA-N
XLogP1.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-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
(1R,5S,6S)-3-(5-fluoropyrimidin-2-yl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 97416000
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,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 134689425
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970791
(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
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653392
9-(5-Fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722707
9-(5-Fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 67505667
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1-methylpiperidine-3-carboxamide
CID 92099088

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (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) is (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CC(C)NC(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is PGSXBZYEMPWJFH-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-10(2)19-13(21)15-4-6-22-12(15)3-5-20(9-15)14-17-7-11(16)8-18-14/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,21)/t12-,15+/m1/s1.
What are the key properties of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 125233531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).