N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C32H33F2N7O2 — CID 134434708

IUPACN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C)C4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H33F2N7O2/c1-21-4-6-24(33)12-26(21)30(42)38-31(2)8-10-40(11-9-31)28-7-5-22(15-36-28)27-13-25(43-20-32(34)18-39(3)19-32)17-41-29(27)23(14-35)16-37-41/h4-7,12-13,15-17H,8-11,18-20H2,1-3H3,(H,38,42)
InChIKeyLUGYRDNDSQFBAK-UHFFFAOYSA-N
MW585.66 g/mol
LogP4.54
Rot. Bonds7

About N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134434708) has the molecular formula C32H33F2N7O2 and a molecular weight of 585.66 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID134434708
Molecular FormulaC32H33F2N7O2
Molecular Weight585.66 g/mol
Exact Mass585.27
IUPAC NameN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C)C4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H33F2N7O2/c1-21-4-6-24(33)12-26(21)30(42)38-31(2)8-10-40(11-9-31)28-7-5-22(15-36-28)27-13-25(43-20-32(34)18-39(3)19-32)17-41-29(27)23(14-35)16-37-41/h4-7,12-13,15-17H,8-11,18-20H2,1-3H3,(H,38,42)
InChIKeyLUGYRDNDSQFBAK-UHFFFAOYSA-N
XLogP4.54
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.66
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134434708) is N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C)C4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is LUGYRDNDSQFBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N7O2/c1-21-4-6-24(33)12-26(21)30(42)38-31(2)8-10-40(11-9-31)28-7-5-22(15-36-28)27-13-25(43-20-32(34)18-39(3)19-32)17-41-29(27)23(14-35)16-37-41/h4-7,12-13,15-17H,8-11,18-20H2,1-3H3,(H,38,42).
What are the key properties of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 585.66 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134434708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).