N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C18H18FN5O2 — CID 139387333

IUPACN-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCN(C(=O)C4(F)CC4)C3)n2n1)C1CC1
InChIInChI=1S/C18H18FN5O2/c19-18(7-8-18)16(26)23-9-6-12(10-23)13-2-1-3-14-20-17(22-24(13)14)21-15(25)11-4-5-11/h1-3,6,11H,4-5,7-10H2,(H,21,22,25)
InChIKeyBVMPVOWKKSXZPH-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.81
Rot. Bonds4

About N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 139387333) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID139387333
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCN(C(=O)C4(F)CC4)C3)n2n1)C1CC1
InChIInChI=1S/C18H18FN5O2/c19-18(7-8-18)16(26)23-9-6-12(10-23)13-2-1-3-14-20-17(22-24(13)14)21-15(25)11-4-5-11/h1-3,6,11H,4-5,7-10H2,(H,21,22,25)
InChIKeyBVMPVOWKKSXZPH-UHFFFAOYSA-N
XLogP1.81
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 139387333) is N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3=CCN(C(=O)C4(F)CC4)C3)n2n1)C1CC1.
What is the InChIKey of N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BVMPVOWKKSXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-18(7-8-18)16(26)23-9-6-12(10-23)13-2-1-3-14-20-17(22-24(13)14)21-15(25)11-4-5-11/h1-3,6,11H,4-5,7-10H2,(H,21,22,25).
What are the key properties of N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-fluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139387333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).