3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide

C21H18F2N8O — CID 118249134

IUPAC3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide
SMILESCc1nccc(Nc2cc(-c3cc(NC(=O)N4CC(F)(F)C4)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C21H18F2N8O/c1-13-24-6-4-18(27-13)29-19-9-14(2-5-25-19)15-8-16(17-3-7-26-31(17)10-15)28-20(32)30-11-21(22,23)12-30/h2-10H,11-12H2,1H3,(H,28,32)(H,24,25,27,29)
InChIKeySMPFLXBOOWEHHD-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.72
Rot. Bonds4

About 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide

3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide (PubChem CID 118249134) has the molecular formula C21H18F2N8O and a molecular weight of 436.43 g/mol. Its IUPAC name is 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide
PubChem CID118249134
Molecular FormulaC21H18F2N8O
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide
SMILESCc1nccc(Nc2cc(-c3cc(NC(=O)N4CC(F)(F)C4)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C21H18F2N8O/c1-13-24-6-4-18(27-13)29-19-9-14(2-5-25-19)15-8-16(17-3-7-26-31(17)10-15)28-20(32)30-11-21(22,23)12-30/h2-10H,11-12H2,1H3,(H,28,32)(H,24,25,27,29)
InChIKeySMPFLXBOOWEHHD-UHFFFAOYSA-N
XLogP3.72
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide (CID 118249134) is 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide is Cc1nccc(Nc2cc(-c3cc(NC(=O)N4CC(F)(F)C4)c4ccnn4c3)ccn2)n1.
What is the InChIKey of 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide?
The InChIKey is SMPFLXBOOWEHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8O/c1-13-24-6-4-18(27-13)29-19-9-14(2-5-25-19)15-8-16(17-3-7-26-31(17)10-15)28-20(32)30-11-21(22,23)12-30/h2-10H,11-12H2,1H3,(H,28,32)(H,24,25,27,29).
What are the key properties of 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide?
3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).