N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine

C21H20F2N8 — CID 134464904

IUPACN-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine
SMILESCc1nccc(Nc2cc(-c3cc(NCN4CC(F)(F)C4)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C21H20F2N8/c1-14-24-6-4-19(28-14)29-20-9-15(2-5-25-20)16-8-17(18-3-7-27-31(18)10-16)26-13-30-11-21(22,23)12-30/h2-10,26H,11-13H2,1H3,(H,24,25,28,29)
InChIKeyKNNDRNQXKMYUHH-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.56
Rot. Bonds6

About N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine

N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine (PubChem CID 134464904) has the molecular formula C21H20F2N8 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine
PubChem CID134464904
Molecular FormulaC21H20F2N8
Molecular Weight422.44 g/mol
Exact Mass422.18
IUPAC NameN-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine
SMILESCc1nccc(Nc2cc(-c3cc(NCN4CC(F)(F)C4)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C21H20F2N8/c1-14-24-6-4-19(28-14)29-20-9-15(2-5-25-20)16-8-17(18-3-7-27-31(18)10-16)26-13-30-11-21(22,23)12-30/h2-10,26H,11-13H2,1H3,(H,24,25,28,29)
InChIKeyKNNDRNQXKMYUHH-UHFFFAOYSA-N
XLogP3.56
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine (CID 134464904) is N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine is Cc1nccc(Nc2cc(-c3cc(NCN4CC(F)(F)C4)c4ccnn4c3)ccn2)n1.
What is the InChIKey of N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is KNNDRNQXKMYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8/c1-14-24-6-4-19(28-14)29-20-9-15(2-5-25-20)16-8-17(18-3-7-27-31(18)10-16)26-13-30-11-21(22,23)12-30/h2-10,26H,11-13H2,1H3,(H,24,25,28,29).
What are the key properties of N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine?
N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 422.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoroazetidin-1-yl)methyl]-6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 134464904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).