N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide

C27H25N7O2 — CID 171521116

IUPACN-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C27H25N7O2/c1-3-26(35)31-25-9-8-23(17-29-25)36-24-14-20(18-34-27(24)21(15-28)16-30-34)19-4-6-22(7-5-19)33-12-10-32(2)11-13-33/h3-9,14,16-18H,1,10-13H2,2H3,(H,29,31,35)
InChIKeyDPEWCRMGLXAPRL-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.94
Rot. Bonds6

About N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide

N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide (PubChem CID 171521116) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide
PubChem CID171521116
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C27H25N7O2/c1-3-26(35)31-25-9-8-23(17-29-25)36-24-14-20(18-34-27(24)21(15-28)16-30-34)19-4-6-22(7-5-19)33-12-10-32(2)11-13-33/h3-9,14,16-18H,1,10-13H2,2H3,(H,29,31,35)
InChIKeyDPEWCRMGLXAPRL-UHFFFAOYSA-N
XLogP3.94
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethylsulfanyloxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162725459
N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide
CID 171521008
6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521275
N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
N-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
CID 171521078
N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
CID 171521274
6-[2-(3,5-dimethoxyphenyl)ethynyl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521244
6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521166
[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
CID 134496858
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521049

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide (CID 171521116) is N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cn3ncc(C#N)c23)cn1.
What is the InChIKey of N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide?
The InChIKey is DPEWCRMGLXAPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-3-26(35)31-25-9-8-23(17-29-25)36-24-14-20(18-34-27(24)21(15-28)16-30-34)19-4-6-22(7-5-19)33-12-10-32(2)11-13-33/h3-9,14,16-18H,1,10-13H2,2H3,(H,29,31,35).
What are the key properties of N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide?
N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide has a molecular weight of 479.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 171521116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).