N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

C26H30FN5O3 — CID 176931750

IUPACN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12
InChIInChI=1S/C26H30FN5O3/c1-16(2)19-13-20(17-5-4-10-31(15-17)23(33)8-11-32-12-9-28-29-32)24(27)21-14-22(35-25(19)21)26(34)30(3)18-6-7-18/h5,9,12-14,16,18H,4,6-8,10-11,15H2,1-3H3
InChIKeyUYRVZOMUJPHCKX-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.23
Rot. Bonds7

About N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 176931750) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID176931750
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC NameN-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12
InChIInChI=1S/C26H30FN5O3/c1-16(2)19-13-20(17-5-4-10-31(15-17)23(33)8-11-32-12-9-28-29-32)24(27)21-14-22(35-25(19)21)26(34)30(3)18-6-7-18/h5,9,12-14,16,18H,4,6-8,10-11,15H2,1-3H3
InChIKeyUYRVZOMUJPHCKX-UHFFFAOYSA-N
XLogP4.23
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (CID 176931750) is N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is CC(C)c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2cc(C(=O)N(C)C3CC3)oc12.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UYRVZOMUJPHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-16(2)19-13-20(17-5-4-10-31(15-17)23(33)8-11-32-12-9-28-29-32)24(27)21-14-22(35-25(19)21)26(34)30(3)18-6-7-18/h5,9,12-14,16,18H,4,6-8,10-11,15H2,1-3H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-methyl-7-propan-2-yl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176931750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).