N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H25F2N5O2 — CID 146408513

IUPACN-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)CC(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C21H25F2N5O2/c22-16(23)10-18(29)27-11-21(12-27)8-6-13(7-9-21)15-2-1-3-17-24-20(26-28(15)17)25-19(30)14-4-5-14/h1-3,13-14,16H,4-12H2,(H,25,26,30)
InChIKeyBHNDJUYEDBRJRX-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.22
Rot. Bonds5

About N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408513) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408513
Molecular FormulaC21H25F2N5O2
Molecular Weight417.46 g/mol
Exact Mass417.20
IUPAC NameN-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)CC(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C21H25F2N5O2/c22-16(23)10-18(29)27-11-21(12-27)8-6-13(7-9-21)15-2-1-3-17-24-20(26-28(15)17)25-19(30)14-4-5-14/h1-3,13-14,16H,4-12H2,(H,25,26,30)
InChIKeyBHNDJUYEDBRJRX-UHFFFAOYSA-N
XLogP3.22
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408513) is N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)CC(F)F)C4)n2n1)C1CC1.
What is the InChIKey of N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BHNDJUYEDBRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c22-16(23)10-18(29)27-11-21(12-27)8-6-13(7-9-21)15-2-1-3-17-24-20(26-28(15)17)25-19(30)14-4-5-14/h1-3,13-14,16H,4-12H2,(H,25,26,30).
What are the key properties of N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).