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

C22H25F2N5O2 — CID 146408604

IUPACN-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-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)[C@@H]3CC3(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C22H25F2N5O2/c23-22(24)10-15(22)19(31)28-11-21(12-28)8-6-13(7-9-21)16-2-1-3-17-25-20(27-29(16)17)26-18(30)14-4-5-14/h1-3,13-15H,4-12H2,(H,26,27,30)/t15-/m0/s1
InChIKeyZOUHWHPRPDJDQE-HNNXBMFYSA-N
MW429.47 g/mol
LogP3.22
Rot. Bonds4

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

N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408604) has the molecular formula C22H25F2N5O2 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408604
Molecular FormulaC22H25F2N5O2
Molecular Weight429.47 g/mol
Exact Mass429.20
IUPAC NameN-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-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)[C@@H]3CC3(F)F)C4)n2n1)C1CC1
InChIInChI=1S/C22H25F2N5O2/c23-22(24)10-15(22)19(31)28-11-21(12-28)8-6-13(7-9-21)16-2-1-3-17-25-20(27-29(16)17)26-18(30)14-4-5-14/h1-3,13-15H,4-12H2,(H,26,27,30)/t15-/m0/s1
InChIKeyZOUHWHPRPDJDQE-HNNXBMFYSA-N
XLogP3.22
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
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-[(1S)-2,2-difluorocyclopropanecarbonyl]-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-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408604) is N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-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-[(1S)-2,2-difluorocyclopropanecarbonyl]-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-[(1S)-2,2-difluorocyclopropanecarbonyl]-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)[C@@H]3CC3(F)F)C4)n2n1)C1CC1.
What is the InChIKey of N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZOUHWHPRPDJDQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25F2N5O2/c23-22(24)10-15(22)19(31)28-11-21(12-28)8-6-13(7-9-21)16-2-1-3-17-25-20(27-29(16)17)26-18(30)14-4-5-14/h1-3,13-15H,4-12H2,(H,26,27,30)/t15-/m0/s1.
What are the key properties of N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 429.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).