N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H21F2N5O2 — CID 164605148

IUPACN-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2NCC2(F)F)cn1
InChIInChI=1S/C21H21F2N5O2/c1-12-6-16(17(9-24-12)30-10-18-21(22,23)11-25-18)14-4-5-28-15(7-14)8-19(27-28)26-20(29)13-2-3-13/h4-9,13,18,25H,2-3,10-11H2,1H3,(H,26,27,29)
InChIKeyMYYGLDZJYCSTFB-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.04
Rot. Bonds6

About N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605148) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605148
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2NCC2(F)F)cn1
InChIInChI=1S/C21H21F2N5O2/c1-12-6-16(17(9-24-12)30-10-18-21(22,23)11-25-18)14-4-5-28-15(7-14)8-19(27-28)26-20(29)13-2-3-13/h4-9,13,18,25H,2-3,10-11H2,1H3,(H,26,27,29)
InChIKeyMYYGLDZJYCSTFB-UHFFFAOYSA-N
XLogP3.04
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605148) is N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OCC2NCC2(F)F)cn1.
What is the InChIKey of N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MYYGLDZJYCSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-12-6-16(17(9-24-12)30-10-18-21(22,23)11-25-18)14-4-5-28-15(7-14)8-19(27-28)26-20(29)13-2-3-13/h4-9,13,18,25H,2-3,10-11H2,1H3,(H,26,27,29).
What are the key properties of N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3,3-difluoroazetidin-2-yl)methoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).