N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide

C23H26FN3O4 — CID 167771568

IUPACN-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(c1ccc(-c2ccncc2)o1)N1C[C@H](F)[C@H](NC(=O)C2(C3CCCCO3)CC2)C1
InChIInChI=1S/C23H26FN3O4/c24-16-13-27(21(28)19-5-4-18(31-19)15-6-10-25-11-7-15)14-17(16)26-22(29)23(8-9-23)20-3-1-2-12-30-20/h4-7,10-11,16-17,20H,1-3,8-9,12-14H2,(H,26,29)/t16-,17+,20?/m0/s1
InChIKeyRSOUMHSVKUEFKC-QJNHQHDKSA-N
MW427.48 g/mol
LogP2.97
Rot. Bonds5

About N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide

N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide (PubChem CID 167771568) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide
PubChem CID167771568
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC NameN-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(c1ccc(-c2ccncc2)o1)N1C[C@H](F)[C@H](NC(=O)C2(C3CCCCO3)CC2)C1
InChIInChI=1S/C23H26FN3O4/c24-16-13-27(21(28)19-5-4-18(31-19)15-6-10-25-11-7-15)14-17(16)26-22(29)23(8-9-23)20-3-1-2-12-30-20/h4-7,10-11,16-17,20H,1-3,8-9,12-14H2,(H,26,29)/t16-,17+,20?/m0/s1
InChIKeyRSOUMHSVKUEFKC-QJNHQHDKSA-N
XLogP2.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide (CID 167771568) is N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide is O=C(c1ccc(-c2ccncc2)o1)N1C[C@H](F)[C@H](NC(=O)C2(C3CCCCO3)CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is RSOUMHSVKUEFKC-QJNHQHDKSA-N. The full InChI is InChI=1S/C23H26FN3O4/c24-16-13-27(21(28)19-5-4-18(31-19)15-6-10-25-11-7-15)14-17(16)26-22(29)23(8-9-23)20-3-1-2-12-30-20/h4-7,10-11,16-17,20H,1-3,8-9,12-14H2,(H,26,29)/t16-,17+,20?/m0/s1.
What are the key properties of N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide?
N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-fluoro-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]-1-(oxan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167771568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).