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

C18H17F2N5O2 — CID 139387328

IUPACN-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCN(C(=O)C4CC4(F)F)C3)n2n1)C1CC1
InChIInChI=1S/C18H17F2N5O2/c19-18(20)8-12(18)16(27)24-7-6-11(9-24)13-2-1-3-14-21-17(23-25(13)14)22-15(26)10-4-5-10/h1-3,6,10,12H,4-5,7-9H2,(H,22,23,26)
InChIKeyXQXRHYUUVNHBAA-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.96
Rot. Bonds4

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

N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 139387328) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID139387328
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3=CCN(C(=O)C4CC4(F)F)C3)n2n1)C1CC1
InChIInChI=1S/C18H17F2N5O2/c19-18(20)8-12(18)16(27)24-7-6-11(9-24)13-2-1-3-14-21-17(23-25(13)14)22-15(26)10-4-5-10/h1-3,6,10,12H,4-5,7-9H2,(H,22,23,26)
InChIKeyXQXRHYUUVNHBAA-UHFFFAOYSA-N
XLogP1.96
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 139387328) is N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-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-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3=CCN(C(=O)C4CC4(F)F)C3)n2n1)C1CC1.
What is the InChIKey of N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is XQXRHYUUVNHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c19-18(20)8-12(18)16(27)24-7-6-11(9-24)13-2-1-3-14-21-17(23-25(13)14)22-15(26)10-4-5-10/h1-3,6,10,12H,4-5,7-9H2,(H,22,23,26).
What are the key properties of N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 373.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-difluorocyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139387328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).