5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide

C19H18FN5O3 — CID 118235373

IUPAC5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)ncc1Oc1cc(NC(=O)[C@H]2C[C@H]2F)c2ncn(C)c2c1
InChIInChI=1S/C19H18FN5O3/c1-9-3-14(18(21)26)22-7-16(9)28-10-4-13(24-19(27)11-6-12(11)20)17-15(5-10)25(2)8-23-17/h3-5,7-8,11-12H,6H2,1-2H3,(H2,21,26)(H,24,27)/t11-,12+/m0/s1
InChIKeyFWDBYGSJILYOCC-NWDGAFQWSA-N
MW383.38 g/mol
LogP2.46
Rot. Bonds5

About 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide

5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide (PubChem CID 118235373) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide
PubChem CID118235373
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)ncc1Oc1cc(NC(=O)[C@H]2C[C@H]2F)c2ncn(C)c2c1
InChIInChI=1S/C19H18FN5O3/c1-9-3-14(18(21)26)22-7-16(9)28-10-4-13(24-19(27)11-6-12(11)20)17-15(5-10)25(2)8-23-17/h3-5,7-8,11-12H,6H2,1-2H3,(H2,21,26)(H,24,27)/t11-,12+/m0/s1
InChIKeyFWDBYGSJILYOCC-NWDGAFQWSA-N
XLogP2.46
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide?
The IUPAC name of 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide (CID 118235373) is 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide is Cc1cc(C(N)=O)ncc1Oc1cc(NC(=O)[C@H]2C[C@H]2F)c2ncn(C)c2c1.
What is the InChIKey of 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide?
The InChIKey is FWDBYGSJILYOCC-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-9-3-14(18(21)26)22-7-16(9)28-10-4-13(24-19(27)11-6-12(11)20)17-15(5-10)25(2)8-23-17/h3-5,7-8,11-12H,6H2,1-2H3,(H2,21,26)(H,24,27)/t11-,12+/m0/s1.
What are the key properties of 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide?
5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-3-methylbenzimidazol-5-yl]oxy-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 118235373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).