4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide

C25H23N7O3 — CID 142499843

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(-n4cnc(C5CC5)c4)cccc3o2)n1
InChIInChI=1S/C25H23N7O3/c1-15(12-33)32-14-27-30-24(32)18-4-2-7-23(28-18)29-25(34)22-10-17-20(5-3-6-21(17)35-22)31-11-19(26-13-31)16-8-9-16/h2-7,10-11,13-16,33H,8-9,12H2,1H3,(H,28,29,34)/t15-/m1/s1
InChIKeyFVCHIAOQPJQJHF-OAHLLOKOSA-N
MW469.51 g/mol
LogP3.95
Rot. Bonds7

About 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 142499843) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID142499843
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(-n4cnc(C5CC5)c4)cccc3o2)n1
InChIInChI=1S/C25H23N7O3/c1-15(12-33)32-14-27-30-24(32)18-4-2-7-23(28-18)29-25(34)22-10-17-20(5-3-6-21(17)35-22)31-11-19(26-13-31)16-8-9-16/h2-7,10-11,13-16,33H,8-9,12H2,1H3,(H,28,29,34)/t15-/m1/s1
InChIKeyFVCHIAOQPJQJHF-OAHLLOKOSA-N
XLogP3.95
TPSA123.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide (CID 142499843) is 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide is C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3c(-n4cnc(C5CC5)c4)cccc3o2)n1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
The InChIKey is FVCHIAOQPJQJHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-15(12-33)32-14-27-30-24(32)18-4-2-7-23(28-18)29-25(34)22-10-17-20(5-3-6-21(17)35-22)31-11-19(26-13-31)16-8-9-16/h2-7,10-11,13-16,33H,8-9,12H2,1H3,(H,28,29,34)/t15-/m1/s1.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 142499843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).