5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide

C23H23FN8O3 — CID 140945222

IUPAC5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H23FN8O3/c1-13-7-17(24)16(8-20(13)31-9-19(25-12-31)14-5-6-14)23(35)27-21-4-2-3-18(26-21)22-28-29-30-32(22)15(10-33)11-34/h2-4,7-9,12,14-15,33-34H,5-6,10-11H2,1H3,(H,26,27,35)
InChIKeyDVWUIBHBUPSTDZ-UHFFFAOYSA-N
MW478.49 g/mol
LogP2.02
Rot. Bonds8

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide (PubChem CID 140945222) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide
PubChem CID140945222
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C23H23FN8O3/c1-13-7-17(24)16(8-20(13)31-9-19(25-12-31)14-5-6-14)23(35)27-21-4-2-3-18(26-21)22-28-29-30-32(22)15(10-33)11-34/h2-4,7-9,12,14-15,33-34H,5-6,10-11H2,1H3,(H,26,27,35)
InChIKeyDVWUIBHBUPSTDZ-UHFFFAOYSA-N
XLogP2.02
TPSA143.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide (CID 140945222) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(CO)CO)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide?
The InChIKey is DVWUIBHBUPSTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-13-7-17(24)16(8-20(13)31-9-19(25-12-31)14-5-6-14)23(35)27-21-4-2-3-18(26-21)22-28-29-30-32(22)15(10-33)11-34/h2-4,7-9,12,14-15,33-34H,5-6,10-11H2,1H3,(H,26,27,35).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide?
5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide has a molecular weight of 478.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1,3-dihydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 140945222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).